SCHEMBL10204249

SCHEMBL10204249

CC(C)c1ccnc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 1/20 0.41
MC4R P32245 1/20 0.41
ADRA1A P35348 1/20 0.41
MC3R P41968 1/20 0.41
OPRM1 P35372 5/20 0.40
NR3C2 P08235 1/20 0.40
CBLB Q13191 1/20 0.40
GSK3B P49841 1/20 0.39
CDC7 O00311 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CHRNA7 P36544 1/20 0.37
KDM4C Q9H3R0 2/20 0.36

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
SCHEMBL25687807 0.85 ADORA3 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL101547 0.83 KDM4E (0.55) CBLBNPC1RAB9AKDM4CALDH1A1
SCHEMBL6169475 0.83 ALDH1A1 (0.47) CBLBGSK3BNPC1POLBPKM
SCHEMBL3439404 0.83 ALDH1A1 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2324988 0.82 OPRM1 (0.37) RAF1BRAFADORA3TSHRMC4R
SCHEMBL28548823 0.82 KMT2A (0.38) RAF1ADORA3TSHRMC4RADRA1A
SCHEMBL18719687 0.81 CHRNA7 (0.37) RAF1BRAFNR3C2CBLBGSK3B
SCHEMBL18542887 0.81 KDM4C (0.40) BRAFCBLBNPC1POLBPKM
Hydrochloric Acid SCHEMBL22583050 0.80 CHRNA7 (0.36) RAF1BRAFNR3C2CBLBGSK3B
SCHEMBL568385 0.80 OPRM1 (0.38) ADORA3TSHRMC4RADRA1AMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
WO-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-7880004-B2 protein tyrosine kinase inhibitors such as 4-(1H-Pyrrolo[2,3-b]pyridin-4-yloxy)-2,5-difluoro-N-(1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridin-3-yl)benzamide, trifluoroacetic acid salt, useful for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-01 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20070117802-A1 Met kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 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 (9 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 RAF1 1120/4885BRAF 2266/4885ADORA3 549/4885
US-20070117802-A1 Met kinase inhibitors MET, ERBB2, ABL1 RAF1 67/4885BRAF 11/4885ADORA3 4119/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ADORA3 4535/4885
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H RAF1 2007/4885BRAF 2809/4885ADORA3 2752/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 RAF1 1120/4885BRAF 2266/4885ADORA3 549/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 RAF1 1950/4885BRAF 1636/4885ADORA3 4736/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H RAF1 2000/4885BRAF 2792/4885ADORA3 2809/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS RAF1 2602/4885BRAF 1296/4885ADORA3 1850/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RAF1 900/4885BRAF 3142/4885ADORA3 2483/4885

“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.