SCHEMBL15023917

SCHEMBL15023917

CNC(=O)Cc1cccc(Nc2nccc(CCc3ccccc3NCS(C)(=O)=O)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.45
PKMYT1 Q99640 1/20 0.43
NEK2 P51955 1/20 0.42
SYK P43405 1/20 0.39
MET P08581 1/20 0.39
RET P07949 1/20 0.38
FLT1 P17948 1/20 0.38
PTK2 Q05397 1/20 0.38
CYP3A4 P08684 1/20 0.38
ROCK1 Q13464 1/20 0.38
AURKA O14965 1/20 0.37

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
SCHEMBL15023916 0.83 KDR (0.47) KDRNEK2METPTK2
SCHEMBL669271 0.75 POLB (0.48) CYP3A4
SCHEMBL10125269 0.73 PTK2 (0.46) KDRNEK2PTK2
SCHEMBL670571 0.65 POLB (0.51) CYP3A4ROCK1
SCHEMBL15834340 0.64 ROCK1 (0.54) CYP3A4ROCK1
SCHEMBL15939450 0.64 KDR (0.55) KDRPKMYT1NEK2METRET
SCHEMBL670678 0.63 PTK2 (0.51) SYKMETPTK2
SCHEMBL669786 0.63 PTK2 (0.51) KDRSYKMETFLT1PTK2
SCHEMBL27946092 0.62 AURKA (0.51) SYKAURKA
SCHEMBL4814457 0.62 KDR (1.00) KDR

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
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP claimed
US-8906916-B2 Pyrimidine derivatives as FAK inhibitors MERCK PATENT GMBH (DE) 2014-12-09 US claimed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US claimed
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP 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-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS CDK2, PTK2, CDKN1A KDR 605/4885PKMYT1 527/4885NEK2 261/4885

“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.