SCHEMBL3533974

SCHEMBL3533974

CC(C)(C)c1cc(NC(N)=O)n(-c2ccc(F)cc2)n1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.81
MAPK14 Q16539 14/20 0.58
MAPK13 O15264 11/20 0.57
MAPK12 P53778 10/20 0.57
MAPK11 Q15759 10/20 0.57
JAK2 O60674 1/20 0.54
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PTK2 Q05397 1/20 0.51

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
SCHEMBL19303194 0.89 CDK8 (1.00) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL3621438 0.89 CDK8 (0.67) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL5164195 0.86 CDK8 (0.80) CDK8MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL29397175 0.85 CDK8 (0.78) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL20627061 0.80 CDK8 (0.51) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL4882965 0.80 CDK8 (0.62) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL1793950 0.80 MAPK14 (0.58) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL2706726 0.80 GRN (0.57) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL1600309 0.79 CDK8 (0.82) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL21436480 0.79 CDK8 (0.79) CDK8MAPK14MAPK13MAPK12MAPK11

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-7662827-B2 Pyrazole derivatives having tyrosine kinase inhibitory activity MERCK PATENT GMBH (DE) 2010-02-16 US disclosed
US-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-08-28 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-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity TIE1, FER, ROS1 CDK8 433/4885MAPK14 592/4885MAPK13 654/4885

“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.