SCHEMBL6070069

SCHEMBL6070069

Cc1cc(C)cc(Nc2nccc(-c3ccnn3-c3ccccc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.53
GSK3B P49841 3/20 0.53
CDK4 P11802 1/20 0.53
SYK P43405 7/20 0.50
SRC P12931 6/20 0.50
ZAP70 P43403 6/20 0.50
KDR P35968 7/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
DYRK1A Q13627 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
PLK1 P53350 1/20 0.43
PTK2 Q05397 1/20 0.43
JAK2 O60674 1/20 0.43
FLT3 P36888 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
SCHEMBL6070696 0.91 SYK (0.53) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070191 0.88 CDK2 (0.48) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070538 0.88 PIK3CA (0.49) CDK2GSK3BCDK4SYKSRC
SCHEMBL6071203 0.88 KDR (0.50) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070451 0.87 MKNK1 (0.52) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070371 0.86 CDK2 (0.50) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070695 0.86 CDK2 (0.48) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070166 0.85 CDK2 (0.50) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070846 0.85 CDK2 (0.46) CDK2GSK3BCDK4SYKSRC
SCHEMBL6070706 0.83 CDK1 (0.51) CDK2SYK

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 CDK2 190/4885GSK3B 351/4885CDK4 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.