SCHEMBL3532066

SCHEMBL3532066

CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc4c(N)ncnc43)cc2)n(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.86
PTK2B Q14289 1/20 0.86
MAPK14 Q16539 9/20 0.56
MAPK13 O15264 6/20 0.54
MAPK12 P53778 6/20 0.54
MAPK11 Q15759 6/20 0.54
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
NTRK1 P04629 1/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
BACE1 P56817 1/20 0.50

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
SCHEMBL3534587 0.92 PTK2 (0.87) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3534284 0.92 PTK2 (1.00) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3528327 0.92 PTK2 (0.78) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3534301 0.92 PTK2 (0.89) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3530115 0.89 PTK2 (0.84) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3532220 0.88 PTK2 (0.87) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3532285 0.86 PTK2 (0.67) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3539437 0.85 PTK2 (0.62) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3538354 0.82 PTK2 (0.59) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL14191791 0.81 PTK2 (0.60) PTK2PTK2BMAPK14PI4KAPI4K2B

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 5 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
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 PTK2 152/4885PTK2B 24/4885MAPK14 592/4885

“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.