SCHEMBL6070451

SCHEMBL6070451

COc1cccc(-n2nccc2-c2ccnc(Nc3cc(C)cc(C)c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.52
PIK3CG P48736 5/20 0.51
PIK3CA P42336 4/20 0.51
PIK3CB P42338 4/20 0.51
CDK2 P24941 7/20 0.50
GSK3B P49841 6/20 0.50
CDK4 P11802 3/20 0.50
DYRK1A Q13627 2/20 0.50
EGFR P00533 1/20 0.46
CDK5 Q00535 3/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK5R1 Q15078 1/20 0.46
SYK P43405 4/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL6070371 0.89 CDK2 (0.50) PIK3CGPIK3CAPIK3CBCDK2GSK3B
SCHEMBL6070069 0.87 CDK2 (0.53) PIK3CGPIK3CACDK2GSK3BCDK4
SCHEMBL6070538 0.86 PIK3CA (0.49) PIK3CGPIK3CAPIK3CBCDK2GSK3B
SCHEMBL6071203 0.86 KDR (0.50) PIK3CGPIK3CACDK2GSK3BCDK4
SCHEMBL6070696 0.85 SYK (0.53) PIK3CGPIK3CACDK2GSK3BCDK4
SCHEMBL6070846 0.84 CDK2 (0.46) PIK3CGPIK3CAPIK3CBCDK2GSK3B
SCHEMBL6070166 0.84 CDK2 (0.50) CDK2GSK3BCDK4DYRK1AMEN1
SCHEMBL6070695 0.83 CDK2 (0.48) CDK2GSK3BCDK4DYRK1ASYK
SCHEMBL6070191 0.81 CDK2 (0.48) PIK3CGPIK3CAPIK3CBCDK2GSK3B
SCHEMBL6070505 0.78 SYK (0.46) CDK2GSK3BCDK4SYKJAK2

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 MKNK1 259/4885PIK3CG 748/4885PIK3CA 809/4885

“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.