SCHEMBL5999205

SCHEMBL5999205

COc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.77
PIK3CA P42336 5/20 0.77
PIK3CB P42338 5/20 0.77
MTOR P42345 1/20 0.63
SMG1 Q96Q15 1/20 0.63
EGFR P00533 1/20 0.62
CDK5 Q00535 3/20 0.60
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
CDK5R1 Q15078 1/20 0.57
DYRK1A Q13627 4/20 0.55
CDK2 P24941 3/20 0.55
GSK3B P49841 3/20 0.55
CDK4 P11802 1/20 0.55
CLK4 Q9HAZ1 2/20 0.55
DYRK1B Q9Y463 1/20 0.55
PRKCA P17252 2/20 0.53
CAMK2D Q13557 2/20 0.53

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
SCHEMBL27116598 0.89 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL8489648 0.87 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL2324992 0.87 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL27115896 0.87 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL7464195 0.86 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL27116597 0.86 PIK3CG (0.73) PIK3CGPIK3CAPIK3CBEGFRCDK5
SCHEMBL2942460 0.84 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL7813342 0.84 PIK3CA (0.67) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL2327107 0.84 FGFR2 (0.56) PIK3CGPIK3CAPIK3CBMTORSMG1
SCHEMBL3513778 0.84 CAMK2D (0.73) PIK3CGPIK3CAPIK3CBMTORSMG1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151096-B2 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-12-19 US disclosed
US-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2004-11-25 US disclosed
WO-2004078682-A2 CYCLIC COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-09-16 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-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors CDK2, CDK5, CDK1 PIK3CG 242/4885PIK3CA 174/4885PIK3CB 179/4885

“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.