SCHEMBL4831501

SCHEMBL4831501

c1cc2cc(-c3cnc4[nH]ccc4c3)cnc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.81
AXL P30530 2/20 0.81
PIK3CA P42336 2/20 0.79
PIK3CD O00329 1/20 0.79
PIK3CB P42338 1/20 0.79
PIK3CG P48736 1/20 0.79
RIPK1 Q13546 4/20 0.76
PLK4 O00444 2/20 0.65
ROCK2 O75116 2/20 0.65
PRKD3 O94806 2/20 0.65
MAP4K4 O95819 2/20 0.65
INSR P06213 2/20 0.65
CDK1 P06493 2/20 0.65
ROS1 P08922 2/20 0.65
FER P16591 2/20 0.65
CDK2 P24941 2/20 0.65
MARK3 P27448 2/20 0.65
FLT4 P35916 2/20 0.65
KDR P35968 2/20 0.65
SYK P43405 2/20 0.65

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
SCHEMBL410704 0.90 CDK8 (1.00) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL416750 0.89 PIK3CA (1.00) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL415099 0.89 PIK3CA (0.70) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL12127266 0.87 RIPK1 (0.71) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL410298 0.87 RIPK1 (0.71) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL22978455 0.87 RIPK1 (1.00) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL13854148 0.87 CDK8 (0.65) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL413503 0.87 RIPK1 (0.71) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL13854134 0.87 CDK8 (0.65) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL16746926 0.87 RIPK1 (0.71) CDK8AXLPIK3CAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 CDK8 273/4885AXL 1103/4885PIK3CA 40/4885

“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.