SCHEMBL669271

SCHEMBL669271

CS(=O)(=O)CNc1ccccc1CCc1ccnc(Nc2ccc(NC(=O)c3cccnc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.44
EPHA2 P29317 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PRKCA P17252 3/20 0.43
RAB9A P51151 3/20 0.43
ABL1 P00519 2/20 0.43
PDGFRB P09619 2/20 0.43
BCR P11274 2/20 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
SCHEMBL670571 0.91 POLB (0.51) POLBSIRT2ALDH1A1PRKCARAB9A
SCHEMBL669272 0.83 POLB (0.48) POLBALDH1A1PRKCARAB9AABL1
SCHEMBL670572 0.81 PTK2 (0.50) POLBALDH1A1
SCHEMBL4899630 0.69 ABL1 (0.64) POLBSIRT2HDAC1ALDH1A1PRKCA
SCHEMBL3160444 0.69 SIRT2 (0.46) SIRT2HDAC1HDAC3EPHA2HDAC4
SCHEMBL4901659 0.69 ABL1 (0.81) HDAC1PRKCAABL1PDGFRBBCR
SCHEMBL4904939 0.68 ABL1 (0.71) HDAC1PRKCAABL1PDGFRBBCR
SCHEMBL4903275 0.66 ABL1 (0.81) HDAC1PRKCAABL1PDGFRBBCR
SCHEMBL3518422 0.66 IKBKB (0.64) POLBHDAC1PRKCAABL1PDGFRB
SCHEMBL28684538 0.66 NAMPT (0.78) POLBALDH1A1RAB9ASMN1; SMN2NPC1

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 723/4885SIRT2 2234/4885HDAC1 1993/4885

“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.