SCHEMBL668640

SCHEMBL668640

CN(c1ncccc1CCc1ccnc(Nc2ccc(N3CCCC3=O)cc2)n1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 19/20 0.47
JAK2 O60674 5/20 0.47
JAK3 P52333 5/20 0.47
PTK2B Q14289 2/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL670106 0.89 PTK2 (0.51) PTK2JAK2JAK3PTK2BKDM4E
SCHEMBL671026 0.88 PTK2 (0.50) PTK2JAK2JAK3PTK2B
SCHEMBL670088 0.84 PTK2 (0.44) PTK2JAK2JAK3PTK2B
SCHEMBL669411 0.82 PTK2 (0.45) PTK2JAK2JAK3PTK2B
SCHEMBL17554667 0.82 KDM4E (0.39) JAK2JAK3KDM4EMEN1MAPT
SCHEMBL670218 0.81 PTK2 (0.56) PTK2JAK2JAK3PTK2B
SCHEMBL10125484 0.78 PTK2 (0.64) PTK2JAK2JAK3PTK2B
SCHEMBL669740 0.77 JAK2 (0.49) PTK2JAK2JAK3
SCHEMBL669719 0.77 PTK2 (0.48) PTK2JAK2JAK3PTK2B
SCHEMBL10125265 0.77 PTK2 (0.41) PTK2JAK2JAK3PTK2B

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 PTK2 2/4885JAK2 9/4885JAK3 200/4885

“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.