SCHEMBL6071203

SCHEMBL6071203

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.50
CDK2 P24941 8/20 0.48
CDK4 P11802 3/20 0.48
GSK3B P49841 2/20 0.48
SRC P12931 6/20 0.46
ZAP70 P43403 6/20 0.46
SYK P43405 6/20 0.46
NR3C2 P08235 1/20 0.44
DYRK1A Q13627 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MAPK14 Q16539 2/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 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
SCHEMBL6070069 0.88 CDK2 (0.53) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070538 0.87 PIK3CA (0.49) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070166 0.87 CDK2 (0.50) CDK2CDK4GSK3BSRCZAP70
SCHEMBL6070696 0.86 SYK (0.53) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070451 0.86 MKNK1 (0.52) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070846 0.85 CDK2 (0.46) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070695 0.84 CDK2 (0.48) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070191 0.81 CDK2 (0.48) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070371 0.80 CDK2 (0.50) KDRCDK2CDK4GSK3BSRC
SCHEMBL6070505 0.79 SYK (0.46) KDRCDK2CDK4GSK3BSRC

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 KDR 2/4885CDK2 190/4885CDK4 88/4885

“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.