SCHEMBL669740

SCHEMBL669740

CN(c1ccccc1CCc1ccnc(Nc2ccc(N3CCOCC3=O)cc2)n1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.49
JAK3 P52333 4/20 0.49
PTK2 Q05397 4/20 0.49
PTGS2 P35354 14/20 0.47
AXL P30530 1/20 0.42
NTRK1 P04629 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
SCHEMBL671026 0.90 PTK2 (0.50) JAK2JAK3PTK2PTGS2
SCHEMBL670106 0.88 PTK2 (0.51) JAK2JAK3PTK2
SCHEMBL10125284 0.81 PTK2 (0.49) JAK2JAK3PTK2
SCHEMBL670504 0.79 PTK2 (0.57) JAK2JAK3PTK2
SCHEMBL668640 0.77 PTK2 (0.47) JAK2JAK3PTK2
SCHEMBL10125285 0.76 PTK2 (0.42) JAK2JAK3PTK2
SCHEMBL10125265 0.76 PTK2 (0.41) JAK2JAK3PTK2
SCHEMBL10125269 0.74 PTK2 (0.46) JAK2JAK3PTK2
SCHEMBL669812 0.74 PTK2 (0.40) JAK2JAK3PTK2
SCHEMBL670544 0.73 PTK2 (0.63) JAK2JAK3PTK2AXLNTRK1

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
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 JAK2 9/4885JAK3 200/4885PTK2 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.