SCHEMBL4569788

SCHEMBL4569788

CC(C)c1ccc2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.41
NUDT1 P36639 1/20 0.41
BRD4 O60885 1/20 0.39
APP P05067 1/20 0.34
CDK8 P49336 2/20 0.33
KDM5A P29375 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPK1 P28482 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL30503530 1.00 AXL (0.41) AXLNUDT1BRD4APPCDK8
SCHEMBL23970904 0.84 AXL (0.38) AXLNUDT1BRD4APPCDK8
SCHEMBL24248223 0.81 AXL (0.36) AXLNUDT1BRD4APPCDK8
SCHEMBL26525126 0.80
SCHEMBL29362564 0.79 AXL (0.41) AXLNUDT1BRD4APPCDK8
SCHEMBL20354682 0.79 AXL (0.41) AXLNUDT1BRD4APPCDK8
SCHEMBL20283841 0.79 AXL (0.37) AXLNUDT1BRD4APP
SCHEMBL18924352 0.78 TAS1R3 (0.37) AXLNUDT1BRD4APP
SCHEMBL24836072 0.78 BRD4 (0.30) BRD4
SCHEMBL21186513 0.78 BRD4 (0.30) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO disclosed
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 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 (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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 AXL 3745/4885NUDT1 158/4885BRD4 544/4885
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 AXL 449/4885NUDT1 682/4885BRD4 305/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR AXL 463/4885NUDT1 634/4885BRD4 1977/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL AXL 3/4885NUDT1 849/4885BRD4 3224/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG AXL 651/4885NUDT1 19/4885BRD4 4719/4885
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA AXL 1022/4885NUDT1 1414/4885BRD4 3712/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG AXL 651/4885NUDT1 19/4885BRD4 4719/4885
US-11780837-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 AXL 150/4885NUDT1 1137/4885BRD4 706/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 AXL 1259/4885NUDT1 1092/4885BRD4 1647/4885
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA AXL 1032/4885NUDT1 835/4885BRD4 4208/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL AXL 3/4885NUDT1 849/4885BRD4 3224/4885
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK AXL 309/4885NUDT1 94/4885BRD4 158/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB AXL 585/4885NUDT1 473/4885BRD4 4169/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP AXL 3955/4885NUDT1 4847/4885BRD4 1669/4885

“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.