SCHEMBL670571

SCHEMBL670571

CS(=O)(=O)CNc1ncccc1CCc1ccnc(Nc2ccc(NC(=O)c3cccnc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL669271 0.91 POLB (0.48) POLBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL670572 0.84 PTK2 (0.50) POLBALDH1A1
SCHEMBL669272 0.82 POLB (0.48) POLBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4899630 0.70 ABL1 (0.64) POLBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4901659 0.70 ABL1 (0.81) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL4904939 0.68 ABL1 (0.71) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL3518422 0.67 IKBKB (0.64) POLBABL1PDGFRBBCRSRC
SCHEMBL28684538 0.67 NAMPT (0.78) POLBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL21652622 0.65 RAB9A (0.78) ALDH1A1RAB9ASMN1; SMN2NPC1CYP3A4
SCHEMBL21391312 0.65 ROCK2 (0.71) ALDH1A1RAB9ASMN1; SMN2NPC1CYP3A4

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 6 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

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 1369/4885RAB9A 1750/4885

“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.