SCHEMBL669539

SCHEMBL669539

CC(=O)N1CCc2cc(Nc3nccc(CCc4ccccc4N(C)S(C)(=O)=O)n3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.58
PLK1 P53350 1/20 0.49
PTK2 Q05397 11/20 0.45
JAK2 O60674 7/20 0.45
JAK3 P52333 5/20 0.45
EGFR P00533 1/20 0.45
TYK2 P29597 1/20 0.42
PTK2B Q14289 5/20 0.41
TRIM24 O15164 1/20 0.41
CHEK1 O14757 1/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
HPGD P15428 1/20 0.40
AURKA O14965 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL10125285 0.79 PTK2 (0.42) PTK2JAK2JAK3EGFRPTK2B
SCHEMBL670057 0.79 PTK2 (0.54) PTK2JAK2JAK3TYK2PTK2B
SCHEMBL669812 0.78 PTK2 (0.40) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL670544 0.78 PTK2 (0.63) PTK2JAK2JAK3TYK2PTK2B
SCHEMBL670504 0.77 PTK2 (0.57) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL670678 0.76 PTK2 (0.51) SYKPTK2JAK2JAK3PTK2B
SCHEMBL670106 0.76 PTK2 (0.51) PTK2JAK2JAK3PTK2B
SCHEMBL10125446 0.76 PTK2 (0.42) PTK2JAK2JAK3PTK2BAURKA
SCHEMBL10125269 0.76 PTK2 (0.46) PTK2JAK2JAK3PTK2B
SCHEMBL15023916 0.76 KDR (0.47) PTK2

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
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
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 42/4885PLK1 100/4885PTK2 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.