SCHEMBL669843

SCHEMBL669843

N#CCc1cc(C(F)(F)F)ccc1CCc1ccnc(Nc2ccc3c(c2)CC(=O)N3)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 10/20 0.49
KIF11 P52732 3/20 0.47
PTK2 Q05397 12/20 0.46
TBK1 Q9UHD2 1/20 0.45
GABRA1 P14867 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
PLK1 P53350 1/20 0.42
ULK1 O75385 2/20 0.42

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
SCHEMBL15023744 0.97 PTK2B (0.49) PTK2BKIF11PTK2TBK1GABRA1
SCHEMBL10125760 0.89 PTK2B (0.51) PTK2BKIF11PTK2TBK1GABRA1
SCHEMBL668635 0.89 PTK2 (0.46) PTK2BPTK2TBK1GABRA1TMEM97
SCHEMBL10125762 0.88 PTK2B (0.51) PTK2BKIF11PTK2TBK1GABRA1
SCHEMBL670533 0.87 PTK2 (0.53) PTK2BPTK2TBK1
SCHEMBL10125445 0.86 PTK2 (0.46) PTK2BPTK2TBK1GABRA1TMEM97
SCHEMBL15023735 0.85 PTK2B (0.46) PTK2BKIF11PTK2TBK1GABRA1
SCHEMBL669800 0.85 PTK2B (0.46) PTK2BKIF11PTK2TBK1GABRA1
SCHEMBL10125381 0.83 PTK2B (0.47) PTK2BKIF11PTK2TBK1GABRA1
SCHEMBL10125382 0.76 TBK1 (0.45) PTK2BPTK2TBK1GABRA1TMEM97

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 11 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

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 PTK2B 21/4885KIF11 2669/4885PTK2 2/4885

“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.