SCHEMBL669722

SCHEMBL669722

Cn1cc(-c2cnc(Nc3ccccc3)nc2CCc2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 11/20 0.58
AXL P30530 9/20 0.56
MERTK Q12866 9/20 0.56
CYP3A4 P08684 4/20 0.54
CASP1 P29466 4/20 0.54
CYP1A2 P05177 4/20 0.54
MEN1 O00255 3/20 0.54
CASP7 P55210 3/20 0.54
KMT2A Q03164 3/20 0.54
HIF1A Q16665 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CDK19 Q9BWU1 2/20 0.49
ALK Q9UM73 2/20 0.49
USP2 O75604 3/20 0.47
ALDH1A1 P00352 3/20 0.47
IGF1R P08069 1/20 0.47
TSHR P16473 2/20 0.45
BRCA1 P38398 1/20 0.45

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
SCHEMBL670753 0.76 CASP1 (0.57) CYP3A4CASP1CYP1A2MEN1CASP7
SCHEMBL21795800 0.74 TYRO3 (0.81) TYRO3AXLMERTK
SCHEMBL15033833 0.74 CASP1 (0.47) CYP3A4CASP1CYP1A2MEN1CASP7
SCHEMBL15033852 0.74 CASP1 (0.47) CYP3A4CASP1CYP1A2MEN1CASP7
SCHEMBL21795935 0.73 TYRO3 (1.00) TYRO3AXLMERTK
SCHEMBL669492 0.73 AURKA (0.59) AXLCYP3A4CASP1CYP1A2MEN1
SCHEMBL669197 0.73 IGF1R (0.59) AXLCYP3A4CASP1CYP1A2MEN1
SCHEMBL21796011 0.72 TYRO3 (1.00) TYRO3AXLMERTK
SCHEMBL30819759 0.72 TYRO3 (1.00) TYRO3AXLMERTK
SCHEMBL15023880 0.72 BRD4 (0.41) ALK

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
EP-2606034-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS Merck Patent GmbH (DE) 2013-06-26 EP 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 TYRO3 72/4885AXL 197/4885MERTK 278/4885

“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.