SCHEMBL6070538

SCHEMBL6070538

Cc1cc(C)cc(Nc2nccc(-c3ccnn3-c3cccc(Cl)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
CDK2 P24941 6/20 0.48
CDK4 P11802 2/20 0.48
GSK3B P49841 1/20 0.48
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
KDR P35968 2/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
PLK1 P53350 1/20 0.46
CAMK2D Q13557 5/20 0.46
SRC P12931 4/20 0.46
ZAP70 P43403 4/20 0.46
SYK P43405 4/20 0.46
NR3C2 P08235 1/20 0.44

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
SCHEMBL6070191 0.88 CDK2 (0.48) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL6070069 0.88 CDK2 (0.53) PIK3CAPIK3CGCDK2CDK4GSK3B
SCHEMBL6071203 0.87 KDR (0.50) PIK3CAPIK3CGCDK2CDK4GSK3B
SCHEMBL6070696 0.86 SYK (0.53) PIK3CAPIK3CGCDK2CDK4GSK3B
SCHEMBL6070451 0.86 MKNK1 (0.52) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL6070166 0.85 CDK2 (0.50) CDK2CDK4GSK3BSRCZAP70
SCHEMBL6070846 0.85 CDK2 (0.46) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL6069976 0.84 CDK2 (0.59) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL6070695 0.84 CDK2 (0.48) CDK2CDK4GSK3BKDRSRC
SCHEMBL6070371 0.80 CDK2 (0.50) PIK3CAPIK3CBPIK3CGCDK2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US claimed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US claimed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 WO claimed
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003011837-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 (1 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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 PIK3CA 809/4885PIK3CB 675/4885PIK3CG 748/4885

“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.