SCHEMBL10125445

SCHEMBL10125445

N#CCc1ccc(F)cc1CCc1ccnc(Nc2ccc3c(c2)CC(=O)N3)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.46
PTK2B Q14289 10/20 0.46
TBK1 Q9UHD2 1/20 0.46
NEK2 P51955 1/20 0.42
PLK1 P53350 1/20 0.41
BCL6 P41182 1/20 0.39
MET P08581 1/20 0.39
GABRA1 P14867 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL668635 0.97 PTK2 (0.46) PTK2PTK2BTBK1NEK2PLK1
SCHEMBL670533 0.90 PTK2 (0.53) PTK2PTK2BTBK1NEK2BCL6
SCHEMBL15023744 0.89 PTK2B (0.49) PTK2PTK2BTBK1PLK1GABRA1
SCHEMBL669843 0.86 PTK2B (0.49) PTK2PTK2BTBK1PLK1GABRA1
SCHEMBL10125382 0.85 TBK1 (0.45) PTK2PTK2BTBK1NEK2PLK1
SCHEMBL10125761 0.85 TBK1 (0.45) PTK2PTK2BTBK1NEK2PLK1
SCHEMBL10125762 0.78 PTK2B (0.51) PTK2PTK2BTBK1PLK1BCL6
SCHEMBL670549 0.77 PTK2 (0.49) PTK2PTK2BTBK1NEK2BCL6
SCHEMBL670009 0.77 PTK2 (0.49) PTK2PTK2BTBK1NEK2BCL6
SCHEMBL15023735 0.76 PTK2B (0.46) PTK2PTK2BTBK1NEK2PLK1

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 10 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
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 21/4885TBK1 1424/4885

“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.