SCHEMBL141036

SCHEMBL141036

Cc1cc(C)cc(Nc2nccc(-c3nc(N)sc3C#N)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.53
ZAP70 P43403 10/20 0.53
SYK P43405 10/20 0.53
SRC P12931 8/20 0.53
KDR P35968 3/20 0.47
CDK4 P11802 7/20 0.45
PLK1 P53350 1/20 0.45
AURKA O14965 2/20 0.44
CDK1 P06493 2/20 0.44
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
CCNE1 P24864 2/20 0.43
GSK3B P49841 2/20 0.43
CCNT1 O60563 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
ABL1 P00519 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL144871 0.82 ZAP70 (0.56) CDK2ZAP70SYKSRCKDR
SCHEMBL140075 0.81 SYK (0.56) CDK2ZAP70SYKSRCKDR
SCHEMBL146914 0.79 CDK2 (0.52) CDK2ZAP70SYKSRCKDR
SCHEMBL14216287 0.74 SYK (0.72) CDK2ZAP70SYKSRCKDR
SCHEMBL144714 0.74 SYK (0.64) CDK2ZAP70SYKSRCKDR
SCHEMBL14216203 0.72 SYK (0.77) CDK2ZAP70SYKSRCKDR
SCHEMBL5034149 0.72 SYK (0.72) CDK2ZAP70SYKSRCKDR
SCHEMBL6840024 0.72 KDM4E (0.46) CDK2CDK9CCNT1CCNA2CDK5
SCHEMBL6839964 0.70 MYC (0.31)
SCHEMBL6835784 0.70 KDM4E (0.32)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181066-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2004-09-16 US claimed
WO-2003011838-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20040181066-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2004-09-16 US disclosed
WO-2003011838-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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 (3 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 CDK2 2042/4885ZAP70 4335/4885SYK 4711/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CDK2 2042/4885ZAP70 4335/4885SYK 4711/4885
US-20040181066-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CDK2 89/4885ZAP70 151/4885SYK 69/4885

“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.