SCHEMBL542033

SCHEMBL542033

O=C1c2ccccc2C(=O)N1Cc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.54
CYP2C9 P11712 7/20 0.49
CYP2C19 P33261 7/20 0.49
CYP3A4 P08684 6/20 0.49
CYP1A2 P05177 5/20 0.49
CYP2D6 P10635 4/20 0.49
SYK P43405 1/20 0.45
GRM5 P41594 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 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
SCHEMBL541917 0.81 CNR2 (0.58) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4896760 0.81 CNR2 (0.53) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL14026128 0.80 CNR2 (0.54) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL541936 0.80 CNR2 (0.57) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL541880 0.80 CNR2 (0.62) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4898354 0.80 CNR2 (0.57) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL5708626 0.79 CNR2 (0.57) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL2356362 0.78 NFKB1 (0.47) CYP2C19CYP3A4CYP1A2CYP2D6GRM5
SCHEMBL4896628 0.78 AXL (0.53) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4889093 0.78 CNR2 (0.55) CNR2CYP2C9CYP2C19CYP3A4CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CNR2 1/4885CYP2C9 1457/4885CYP2C19 1513/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CNR2 1/4885CYP2C9 1248/4885CYP2C19 1242/4885

“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.