SCHEMBL1106477

SCHEMBL1106477

CC(C)n1cnc2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR3 P49019 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
LTA4H P09960 1/20 0.35

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
SCHEMBL23760241 0.85 HIF1A (0.43) HIF1ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL20664871 0.82 HIF1A (0.44) HIF1ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL20385183 0.79 RAB9A (0.38) HIF1ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL21591572 0.78 HIF1A (0.39) HIF1AKMT2AHPGDMEN1HSD17B10
SCHEMBL21142493 0.77 PDE4A (0.49) SMN1; SMN2ALDH1A1ADORA2AADORA1PDE4A
SCHEMBL22606405 0.76 HIF1A (0.43) HIF1A
SCHEMBL7152983 0.75 HIF1A (0.37) HIF1ALTA4HBACE1
SCHEMBL7196866 0.75 HIF1A (0.37) HIF1ALTA4H
SCHEMBL4863671 0.74 HIF1A (0.36) HIF1AKMT2ALTA4H
SCHEMBL256361 0.74 LTA4H (0.41) HIF1ARAB9ANPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-12 US disclosed
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 US disclosed
US-20230142338-A1 THIOPHENYL DERIVATIVES USEFUL FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC. 2023-05-11 US disclosed
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2023-05-09 US disclosed
WO-2023069613-A1 ARYLIMIDAMIDES FOR USE IN TREATMENT OF CANCERS OHIO STATE INNOVATION FOUNDATION (US) 2023-04-27 WO disclosed
WO-2022268025-A1 ATR INHIBITOR AND USE THEREOF 成都苑东生物制药股份有限公司 2022-12-29 WO disclosed
US-20210379033-A1 METHODS OF TREATING CANCER WITH ARYL HYDROCARBON RECEPTOR ANTAGONISTS EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-12-09 US disclosed
US-20210179625-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND USES THEREOF EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-06-17 US disclosed
US-20210094921-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-01 US disclosed
US-20200338132-A1 COMPOSITIONS AND METHODS FOR THE EXPANSION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS AND TREATMENT OF INHERITED METABOLIC DISORDERS EDIGENE BIOTECHNOLOGY, INC. (CN) 2020-10-29 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2009143156-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SEPRACOR INC. (US) 2009-11-26 WO disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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 (12 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-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB HIF1A 3993/4885SMN1; SMN2 3820/4885RAB9A 806/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HIF1A 815/4885SMN1; SMN2 4168/4885RAB9A 2543/4885
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 HIF1A 2868/4885SMN1; SMN2 998/4885RAB9A 1248/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB HIF1A 3993/4885SMN1; SMN2 3820/4885RAB9A 806/4885
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs CALCB, BDKRB2, BDKRB1 HIF1A 1149/4885SMN1; SMN2 4732/4885RAB9A 2776/4885
US-20210379033-A1 METHODS OF TREATING CANCER WITH ARYL HYDROCARBON RECEPTOR ANTAGONISTS AHR, ARNT, NCOR1 HIF1A 686/4885SMN1; SMN2 4380/4885RAB9A 4598/4885
US-20210094921-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 HIF1A 2868/4885SMN1; SMN2 998/4885RAB9A 1248/4885
US-20230142338-A1 THIOPHENYL DERIVATIVES USEFUL FOR MODULATING NUCLEIC ACID SPLICING SNRPA, NSUN3, NSUN2 HIF1A 2053/4885SMN1; SMN2 551/4885RAB9A 2739/4885
US-20210179625-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND USES THEREOF AHR, ARNT, AIPL1 HIF1A 789/4885SMN1; SMN2 3918/4885RAB9A 4634/4885
US-20200338132-A1 COMPOSITIONS AND METHODS FOR THE EXPANSION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS AND TREATMENT OF INHERITED METABOLIC DISORDERS AHR, HCLS1, ARNT HIF1A 390/4885SMN1; SMN2 1234/4885RAB9A 2938/4885
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL HIF1A 834/4885SMN1; SMN2 3633/4885RAB9A 1893/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HIF1A 4176/4885SMN1; SMN2 4477/4885RAB9A 2246/4885

“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.