SCHEMBL2013329

SCHEMBL2013329

[C]#Cc1cnc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.51
CDK8 P49336 9/20 0.50
AXL P30530 3/20 0.50
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
NUDT1 P36639 2/20 0.44
KDR P35968 4/20 0.42
FGFR1 P11362 2/20 0.42
PLK4 O00444 2/20 0.42
ROCK2 O75116 2/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
ABL1 P00519 2/20 0.42
INSR P06213 2/20 0.42
CDK1 P06493 2/20 0.42
ROS1 P08922 2/20 0.42
SRC P12931 2/20 0.42
FER P16591 2/20 0.42

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
SCHEMBL293195 0.81 RIPK1 (0.51) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL298150 0.81 RIPK1 (0.69) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL17761629 0.79 RIPK1 (0.49) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL1329244 0.77 CDK8 (0.58) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL297592 0.76 RIPK1 (0.47) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL29543783 0.76 RIPK1 (0.47) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL17616439 0.75 RIPK1 (0.46) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL1328372 0.75 RIPK1 (0.49) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL4831501 0.74 CDK8 (0.81) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL5262714 0.74 RIPK1 (0.44) RIPK1CDK8AXLPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703961-B2 Thiazole derivatives for the treatment of diseases such as cancer MERCK PATENT GMBH (DE) 2014-04-22 US disclosed
EP-2513071-A1 THIAZOLE DERIVATIVES FOR TREATING DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252759-A1 THIAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKER HAFTING (DE) 2012-10-04 US disclosed
WO-2011072779-A1 THIAZOLE DERIVATIVES FOR TREATING DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2011-06-23 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-20120252759-A1 THIAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER RET, IGF1R, JAK2 RIPK1 1021/4885CDK8 327/4885AXL 639/4885

“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.