SCHEMBL2627809

SCHEMBL2627809

CC(C)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NOTUM Q6P988 3/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ERBB2 P04626 1/20 0.37
GCGR P47871 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 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
SCHEMBL12052098 0.85 ADRB2 (0.39) RAB9ANPC1TP53NPSR1KDM4E
SCHEMBL8254362 0.85 ADRB2 (0.39) RAB9ANPC1TP53NPSR1KDM4E
SCHEMBL8248224 0.85 ADRB2 (0.39) RAB9ANPC1TP53NPSR1KDM4E
SCHEMBL18509338 0.85 NPC1 (0.35) RAB9ANPC1TP53NPSR1
SCHEMBL8293716 0.83 RAB9A (0.41) RAB9ANPC1TP53NPSR1NOTUM
SCHEMBL2028396 0.83 ADH5 (0.32)
SCHEMBL13411813 0.81 ADH5 (0.36)
SCHEMBL18891505 0.80 NPC1 (0.32) RAB9ANPC1TP53NPSR1
SCHEMBL8252132 0.80 MAPK1 (0.42) RAB9ANPC1TP53NPSR1MAPK13
SCHEMBL12545623 0.79 RXRA (0.41) RAB9ANPC1TP53NPSR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065264-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT UNIV IOWA STATE RES FOUND INC (US) 2024-02-29 US disclosed
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY 2022-01-06 US disclosed
US-20210298295-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-09-30 US disclosed
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2021-08-03 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-20080119549-A1 METABOLICALLY-STABILIZED INHIBITORS OF FATTY ACID AMIDE HYDROLASE N.V. ORGANON (NL) 2008-05-22 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-07-12 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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 (14 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-20210298295-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT HNMT, TUBB6, SGMS2 RAB9A 1955/4885NPC1 242/4885TP53 4830/4885
US-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 RAB9A 3802/4885NPC1 2233/4885TP53 3381/4885
US-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO PTGER2, PTGES2, PTGER1 RAB9A 3338/4885NPC1 4666/4885TP53 3372/4885
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGES RAB9A 3170/4885NPC1 4549/4885TP53 3099/4885
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 RAB9A 3104/4885NPC1 2617/4885TP53 4792/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 RAB9A 809/4885NPC1 3086/4885TP53 4124/4885
US-20080119549-A1 METABOLICALLY-STABILIZED INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ABHD6 RAB9A 1729/4885NPC1 486/4885TP53 4827/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR RAB9A 2719/4885NPC1 3021/4885TP53 3614/4885
US-20240065264-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT HNMT, TUBB6, SGMS2 RAB9A 1955/4885NPC1 242/4885TP53 4830/4885
US-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations JAK2, ABL1, FLT3 RAB9A 2426/4885NPC1 3154/4885TP53 201/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR RAB9A 1849/4885NPC1 3007/4885TP53 97/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS RAB9A 36/4885NPC1 2606/4885TP53 41/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 RAB9A 1295/4885NPC1 2317/4885TP53 1729/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 RAB9A 1703/4885NPC1 1216/4885TP53 591/4885

“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.