SCHEMBL6070696

SCHEMBL6070696

Cc1cc(C)cc(Nc2nccc(-c3ccnn3-c3cc(C)cc(C)c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.53
SRC P12931 7/20 0.53
ZAP70 P43403 7/20 0.53
CDK2 P24941 4/20 0.53
CDK4 P11802 1/20 0.53
GSK3B P49841 1/20 0.53
KDR P35968 6/20 0.47
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
DYRK1A Q13627 1/20 0.43
JAK2 O60674 2/20 0.43
FLT3 P36888 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43

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 0.91 CDK2 (0.53) SYKSRCZAP70CDK2CDK4
SCHEMBL6070191 0.89 CDK2 (0.48) SYKSRCZAP70CDK2CDK4
SCHEMBL6070695 0.89 CDK2 (0.48) SYKSRCZAP70CDK2CDK4
SCHEMBL6070371 0.87 CDK2 (0.50) SYKSRCZAP70CDK2CDK4
SCHEMBL6071203 0.86 KDR (0.50) SYKSRCZAP70CDK2CDK4
SCHEMBL6070538 0.86 PIK3CA (0.49) SYKSRCZAP70CDK2CDK4
SCHEMBL6070451 0.85 MKNK1 (0.52) SYKSRCZAP70CDK2CDK4
SCHEMBL6070505 0.85 SYK (0.46) SYKSRCZAP70CDK2CDK4
SCHEMBL6070846 0.84 CDK2 (0.46) SYKSRCZAP70CDK2CDK4
SCHEMBL6070166 0.84 CDK2 (0.50) SYKSRCZAP70CDK2CDK4

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 5 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

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 SYK 188/4885SRC 122/4885ZAP70 641/4885

“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.