SCHEMBL3534723

SCHEMBL3534723

CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc(C(N)=O)c3N)cc2)n(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.57
MAPK13 O15264 9/20 0.56
MAPK12 P53778 9/20 0.56
MAPK11 Q15759 9/20 0.56
DDR2 Q16832 3/20 0.56
SRC P12931 1/20 0.56
PTK2 Q05397 3/20 0.53
PTK2B Q14289 1/20 0.53
MAPK9 P45984 1/20 0.53
BRAF P15056 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
SCHEMBL3538354 0.92 PTK2 (0.59) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3528828 0.91 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL14735592 0.90 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL14735558 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3533020 0.87 PTK2 (0.60) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL13499154 0.87 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3535040 0.84 PTK2 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3581045 0.84 PTK2 (0.62) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3528327 0.83 PTK2 (0.78) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5436578 0.82 KDR (0.64) MAPK14BRAF

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
EP-1912998-B1 PYRAZOLE DERIVATIVES HAVING TYROSINKINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-06 EP claimed
US-7662827-B2 Pyrazole derivatives having tyrosine kinase inhibitory activity MERCK PATENT GMBH (DE) 2010-02-16 US claimed
US-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-08-28 US claimed

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 MAPK14 592/4885MAPK13 654/4885MAPK12 769/4885

“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.