SCHEMBL669170

SCHEMBL669170

CN(c1ccccc1CCc1ccnc(Nc2ccc3[nH]c(=O)oc3c2)n1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.52
JAK3 P52333 9/20 0.44
JAK1 P23458 8/20 0.44
PTK2 Q05397 6/20 0.41
PTK2B Q14289 6/20 0.41
JAK2 O60674 1/20 0.40
AURKA O14965 1/20 0.40
BRD4 O60885 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
POLB P06746 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
SCHEMBL669949 0.89 SYK (0.51) SYKJAK3JAK1PTK2PTK2B
SCHEMBL10125453 0.82 SYK (0.44) SYKJAK3PTK2PTK2BJAK2
SCHEMBL670504 0.79 PTK2 (0.57) JAK3PTK2PTK2BJAK2AURKA
SCHEMBL16570591 0.79 JAK3 (0.45) SYKJAK3JAK1PTK2PTK2B
SCHEMBL670544 0.78 PTK2 (0.63) JAK3PTK2PTK2BJAK2AURKA
SCHEMBL670057 0.78 PTK2 (0.54) JAK3PTK2PTK2BJAK2AURKA
SCHEMBL670678 0.77 PTK2 (0.51) SYKJAK3PTK2PTK2BJAK2
SCHEMBL10125446 0.76 PTK2 (0.42) JAK3PTK2PTK2BJAK2AURKA
SCHEMBL10125284 0.76 PTK2 (0.49) JAK3PTK2PTK2BJAK2
SCHEMBL10125269 0.74 PTK2 (0.46) JAK3PTK2PTK2BJAK2

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
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-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 SYK 42/4885JAK3 200/4885JAK1 30/4885

“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.