SCHEMBL670678

SCHEMBL670678

CN(c1ccccc1CCc1ccnc(Nc2cccc(C#N)c2)n1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.51
CDK4 P11802 2/20 0.43
CDK2 P24941 2/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
CDC7 O00311 1/20 0.41
SYK P43405 4/20 0.41
JAK2 O60674 2/20 0.41
MET P08581 1/20 0.41
ALK Q9UM73 1/20 0.41
JAK3 P52333 1/20 0.41
SMG1 Q96Q15 1/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
PTK2B Q14289 2/20 0.39
EPHB4 P54760 1/20 0.39

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
SCHEMBL670377 0.88 PTK2 (0.62) PTK2JAK2JAK3PTK2B
SCHEMBL10125446 0.85 PTK2 (0.42) PTK2CDK4CDK2JAK2JAK3
SCHEMBL670504 0.81 PTK2 (0.57) PTK2CDK4CDK2IKBKBJAK2
SCHEMBL15023916 0.81 KDR (0.47) PTK2METALK
SCHEMBL669812 0.77 PTK2 (0.40) PTK2JAK2JAK3PTK2B
SCHEMBL669170 0.77 SYK (0.52) PTK2SYKJAK2JAK3PTK2B
SCHEMBL670544 0.77 PTK2 (0.63) PTK2CDK2JAK2METALK
SCHEMBL10125453 0.77 SYK (0.44) PTK2SYKJAK2JAK3PTK2B
SCHEMBL669539 0.76 SYK (0.58) PTK2SYKJAK2JAK3PTK2B
SCHEMBL670057 0.76 PTK2 (0.54) PTK2CDK2JAK2METALK

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 12 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
EP-2606034-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS Merck Patent GmbH (DE) 2013-06-26 EP claimed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US claimed
WO-2012022408-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2012-02-23 WO claimed
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP disclosed
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP disclosed
US-8906916-B2 Pyrimidine derivatives as FAK inhibitors MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906916-B2 Pyrimidine derivatives as FAK inhibitors MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012022408-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2012-02-23 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-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS CDK2, PTK2, CDKN1A PTK2 2/4885CDK4 78/4885CDK2 1/4885

“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.