SCHEMBL541905

SCHEMBL541905

O=C(c1cnc(Sc2cccc(Cl)c2)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.43
GRM5 P41594 1/20 0.43
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL3378797 0.79 CNR2 (0.65) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL541592 0.77 NFKB1 (0.52) LMNAKDM4ETSHRHTTJUN
SCHEMBL541334 0.73 KDM4E (0.48) LMNACNR2KDM4ENPC1RAB9A
SCHEMBL29510127 0.73 CNR2 (0.65) CNR2CYP3A4CYP2C9CYP1A2
SCHEMBL3380963 0.73 CNR2 (0.65) LMNACNR2CYP3A4CYP2C9KDM4E
SCHEMBL3377550 0.73 CNR2 (0.65) CNR2CYP3A4CYP2C9CYP1A2
SCHEMBL3380961 0.72 CNR2 (0.63) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12796229 0.72 CNR2 (0.50) LMNACNR2CYP3A4CYP2D6CYP2C9
SCHEMBL29509939 0.71 CNR2 (0.65) CNR2CYP2C9CYP1A2
SCHEMBL3379847 0.71 CNR2 (0.65) CNR2CYP2C9CYP1A2

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
CN-102378757-A Pyrimidine compounds ASTELLAS PHARMA INC 2012-03-14 CN 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 LMNA 4300/4885THRB 940/4885GRM5 159/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LMNA 4294/4885THRB 950/4885GRM5 201/4885

“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.