SCHEMBL5038642

SCHEMBL5038642

Cc1ncc(-c2cnc3[nH]ccc3c2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 8/20 0.55
AXL P30530 2/20 0.55
PIK3CA P42336 2/20 0.54
PIK3CD O00329 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3CG P48736 1/20 0.54
RIPK1 Q13546 4/20 0.53
BRD4 O60885 1/20 0.50
NUDT1 P36639 1/20 0.49
PLK4 O00444 2/20 0.48
ROCK2 O75116 2/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
INSR P06213 2/20 0.48
CDK1 P06493 2/20 0.48
ROS1 P08922 2/20 0.48
FER P16591 2/20 0.48
CDK2 P24941 2/20 0.48
MARK3 P27448 2/20 0.48
FLT4 P35916 2/20 0.48

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
SCHEMBL4831501 0.79 CDK8 (0.81) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL1484246 0.76 CDK8 (0.49) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL1484236 0.76 CDK8 (0.49) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL15871324 0.76 RIPK1 (0.71) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL13854134 0.76 CDK8 (0.65) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL1052492 0.75 CDK8 (0.55) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL14845844 0.74 RIPK1 (0.64) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL17215087 0.73 CYP1A2 (0.51) PIK3CAPIK3CDMAP4K4CDK1CLK2
SCHEMBL3348987 0.73 RIPK1 (0.67) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL28506153 0.73 CDK8 (0.61) 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-7863289-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 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-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885PIK3CA 79/4885

“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.