SCHEMBL670915

SCHEMBL670915

O=CNCCNc1ncccc1CCc1ccnc(Nc2ccc3c(c2)CC(=O)N3)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 17/20 0.50
PTK2B Q14289 10/20 0.50
BCL6 P41182 2/20 0.45
PAK4 O96013 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
STK16 O75716 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
NTRK1 P04629 1/20 0.44
PRKCG P05129 1/20 0.44
INSR P06213 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL10125447 0.81 PTK2 (0.58) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL670533 0.78 PTK2 (0.53) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL669481 0.78 PTK2 (0.58) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL17554668 0.77 PTK2 (0.54) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL669471 0.77 PTK2 (0.76) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL670549 0.77 PTK2 (0.49) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL17554675 0.75 PTK2 (0.52) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL670544 0.74 PTK2 (0.63) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL670009 0.74 PTK2 (0.49) PTK2PTK2BBCL6PAK4PLK4
SCHEMBL15023795 0.73 PTK2 (0.45) PTK2PTK2BBCL6PAK4PLK4

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 2/4885PTK2B 21/4885BCL6 2314/4885

“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.