SCHEMBL9917289

SCHEMBL9917289

CC(C)(C)CN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38
KDM1A O60341 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10200937 0.92 NPSR1 (0.38) NPSR1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL20243875 0.83 NPSR1 (0.40) NPSR1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL18426436 0.83 NPSR1 (0.40) NPSR1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL10201852 0.83 CYP2D6 (0.60) ALDH1A1SMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL10202081 0.83 POLB (0.39) NPSR1KDM4EALDH1A1MAPTMEN1
SCHEMBL20243850 0.82 NPSR1 (0.39) NPSR1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL15896447 0.81 NPSR1 (0.47) NPSR1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL4569276 0.79 KDM1A (0.42) NPSR1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL13153167 0.79 PTGS2 (0.40) NPSR1KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL19543019 0.78 HTR7 (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 US disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-09-08 US disclosed
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents AUCENTRA HOLDINGS PTY LTD (AU) 2022-05-10 US disclosed
US-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-04 US disclosed
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-05-21 US disclosed
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 WO disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 NPSR1 4848/4885KDM4E 2788/4885ALDH1A1 3019/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 NPSR1 4298/4885KDM4E 1554/4885ALDH1A1 4836/4885
US-20130053371-A1 INHIBITORS OF PI3 KINASE PIK3CA, MTOR, PIK3C2A NPSR1 4587/4885KDM4E 2475/4885ALDH1A1 2425/4885
US-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof PIK3R5, JAK2, PIK3C3 NPSR1 3981/4885KDM4E 1094/4885ALDH1A1 3201/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 NPSR1 3885/4885KDM4E 925/4885ALDH1A1 2855/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 NPSR1 3885/4885KDM4E 925/4885ALDH1A1 2855/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA NPSR1 3121/4885KDM4E 748/4885ALDH1A1 3679/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 NPSR1 4833/4885KDM4E 340/4885ALDH1A1 607/4885
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents CDK8, CDK18, CDK9 NPSR1 4448/4885KDM4E 679/4885ALDH1A1 4073/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 NPSR1 4462/4885KDM4E 1460/4885ALDH1A1 4878/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 NPSR1 676/4885KDM4E 4075/4885ALDH1A1 4631/4885
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF PIK3R5, JAK2, PIK3C3 NPSR1 3981/4885KDM4E 1094/4885ALDH1A1 3201/4885
US-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF EZH2, BMI1, EED NPSR1 3961/4885KDM4E 73/4885ALDH1A1 808/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 NPSR1 4165/4885KDM4E 628/4885ALDH1A1 3165/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 NPSR1 3885/4885KDM4E 925/4885ALDH1A1 2855/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.