SCHEMBL6071083

SCHEMBL6071083

Cc1cc(C)cc(Nc2nccc(-c3[nH]ncc3C#N)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.51
SYK P43405 8/20 0.51
SRC P12931 7/20 0.51
ZAP70 P43403 7/20 0.51
KDR P35968 2/20 0.47
CDK4 P11802 6/20 0.47
GSK3B P49841 1/20 0.47
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
ACVR1 Q04771 1/20 0.40

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
SCHEMBL6069875 0.78 TGFBR1 (0.52) CDK2SYKSRCZAP70KDR
SCHEMBL14216287 0.73 SYK (0.72) CDK2SYKSRCZAP70KDR
SCHEMBL5034149 0.73 SYK (0.72) CDK2SYKSRCZAP70KDR
SCHEMBL1669634 0.71 IKBKE (0.50) CDK2SYKSRCZAP70
SCHEMBL6070098 0.71 L3MBTL1 (0.41) CDK2
SCHEMBL140075 0.71 SYK (0.56) CDK2SYKSRCZAP70KDR
SCHEMBL6070023 0.70 TGFBR1 (0.32)
SCHEMBL7471347 0.69 SRC (0.64) CDK2SYKSRCZAP70KDR
SCHEMBL141036 0.69 CDK2 (0.53) CDK2SYKSRCZAP70KDR
SCHEMBL7469833 0.69 ABL1 (0.81) CDK2SYKSRCZAP70KDR

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 190/4885SYK 188/4885SRC 122/4885

“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.