SCHEMBL10125258

SCHEMBL10125258

O=C1CCc2cc(Nc3ncc(F)c(CCc4ccc(F)cc4)n3)ccc2N1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 12/20 0.67
PTK2B Q14289 4/20 0.48
PTK2 Q05397 2/20 0.48
MET P08581 2/20 0.47
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CDK7 P50613 1/20 0.46
KIF11 P52732 2/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL15033860 0.91 ULK1 (0.56) ULK1PTK2BPTK2
SCHEMBL15033868 0.91 ULK1 (0.65) ULK1PTK2BPTK2METCDK1
SCHEMBL10125509 0.91 ULK1 (0.65) ULK1PTK2BPTK2METCDK1
SCHEMBL10125464 0.89 ULK1 (0.85) ULK1PTK2BPTK2CDK1CCNB1
SCHEMBL15033827 0.83 ULK1 (0.56) ULK1PTK2BPTK2CDK1CCNB1
SCHEMBL15033892 0.82 PTK2 (0.54) ULK1PTK2BPTK2
SCHEMBL15033851 0.82 PTK2 (0.54) ULK1PTK2BPTK2
SCHEMBL10125386 0.81 ULK1 (0.58) ULK1PTK2BPTK2CDK1CCNB1
SCHEMBL15024023 0.81 ULK1 (0.75) ULK1PTK2BPTK2CDK1CCNB1
SCHEMBL19654215 0.81 ULK1 (0.75) ULK1PTK2BPTK2CDK1CCNB1

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 8 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
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US 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 ULK1 1675/4885PTK2B 21/4885PTK2 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.