SCHEMBL541699

SCHEMBL541699

COC(=O)c1cnc(NCc2ccc(Cl)cc2Cl)nc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 2/20 0.50
CNR2 P34972 11/20 0.49
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL541694 0.88 CNR2 (0.52) GAACNR2EPHX2CYP1A2CYP2C9
SCHEMBL28793764 0.83 EPHX2 (0.45) GAAHPGDNPSR1CNR2EPHX2
SCHEMBL3378591 0.83 CNR2 (0.59) GAAMAPTCNR2ALDH1A1KMT2A
SCHEMBL5078999 0.81 CNR2 (0.59) GAAMAPTCNR2ALDH1A1KMT2A
SCHEMBL28793765 0.81 EPHX2 (0.44) CNR2ALDH1A1EPHX2
SCHEMBL12796229 0.79 CNR2 (0.50) CNR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4893858 0.76 CNR2 (0.67) GAAMAPTCNR2CYP1A2CYP2C9
SCHEMBL16841639 0.75 HPGD (0.45) HPGDNPSR1ALDH1A1KMT2A
SCHEMBL5083067 0.75 GAA (0.57) GAAMAPTCNR2ALDH1A1KMT2A
SCHEMBL5079815 0.75 CNR2 (0.59) GAAMAPTCNR2ALDH1A1KMT2A

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
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
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 GAA 4438/4885HPGD 1078/4885NPSR1 218/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 GAA 4452/4885HPGD 1168/4885NPSR1 101/4885

“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.