SCHEMBL669272

SCHEMBL669272

CN(c1ccccc1CCc1ccnc(Nc2ccc(NC(=O)c3cccnc3)cc2)n1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PTK2 Q05397 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
IRAK1 P51617 1/20 0.43

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
SCHEMBL670572 0.90 PTK2 (0.50) POLBALDH1A1PTK2PTK2B
SCHEMBL669271 0.83 POLB (0.48) POLBALDH1A1MAPTGFERNPSR1
SCHEMBL670571 0.82 POLB (0.51) POLBALDH1A1MAPTGFERNPSR1
SCHEMBL10125269 0.80 PTK2 (0.46) PTK2JAK2JAK3PTK2B
SCHEMBL10125284 0.77 PTK2 (0.49) PTK2JAK2JAK3PTK2B
SCHEMBL15023916 0.75 KDR (0.47) PTK2
SCHEMBL670106 0.74 PTK2 (0.51) PTK2MAPTMAPK8MAPK9MAPK10
SCHEMBL669539 0.74 SYK (0.58) PTK2JAK2JAK3PTK2B
SCHEMBL670678 0.74 PTK2 (0.51) PTK2JAK2JAK3PTK2B
SCHEMBL10125446 0.73 PTK2 (0.42) 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 12 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
CN-103052627-A Pyrimidine derivatives as fak inhibitors MERCK PATENT GMBH 2013-04-17 CN 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 POLB 723/4885ALDH1A1 1369/4885PTK2 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.