SCHEMBL140075

SCHEMBL140075

Cc1cc(C)cc(Nc2nccc(-c3ncsc3C#N)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.56
ZAP70 P43403 10/20 0.56
SRC P12931 9/20 0.56
CDK2 P24941 7/20 0.55
KDR P35968 4/20 0.48
CDK4 P11802 2/20 0.45
GSK3B P49841 1/20 0.45
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL141036 0.81 CDK2 (0.53) SYKZAP70SRCCDK2KDR
SCHEMBL5034149 0.76 SYK (0.72) SYKZAP70SRCCDK2KDR
SCHEMBL14216287 0.74 SYK (0.72) SYKZAP70SRCCDK2KDR
SCHEMBL13924509 0.72 SYK (1.00) SYKZAP70SRCCDK2
SCHEMBL5038582 0.71 SYK (0.74) SYKZAP70SRCCDK2KDR
SCHEMBL144714 0.71 SYK (0.64) SYKZAP70SRCCDK2KDR
SCHEMBL7475231 0.71 SYK (0.66) SYKZAP70SRCCDK2CDK4
SCHEMBL6071083 0.71 CDK2 (0.51) SYKZAP70SRCCDK2KDR
SCHEMBL6839968 0.70 KDM4E (0.44) CDK2PIK3CA
SCHEMBL144871 0.70 ZAP70 (0.56) SYKZAP70SRCCDK2KDR

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 SYK 4711/4885ZAP70 4335/4885SRC 2611/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 SYK 4711/4885ZAP70 4335/4885SRC 2611/4885
US-20040181066-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SYK 69/4885ZAP70 151/4885SRC 37/4885

“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.