SCHEMBL4886635

SCHEMBL4886635

OCc1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.53
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3CG P48736 4/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.40
LRRK2 Q5S007 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL5708636 0.85 CNR2 (0.51) CNR2KDM4ENPC1ALOX15TSHR
SCHEMBL4896789 0.82 CNR2 (0.63) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL4893410 0.82 CNR2 (0.49) CNR2KDM4ENPC1ALOX15TSHR
SCHEMBL4896851 0.82 CNR2 (0.53) CNR2KDM4ENPC1ALOX15TSHR
SCHEMBL4896282 0.82 CNR2 (0.47) CNR2KDM4ENPC1ALOX15TSHR
SCHEMBL14045936 0.82 CNR2 (0.47) CNR2KDM4ENPC1ALOX15TSHR
SCHEMBL4896507 0.81 CNR2 (0.46) CNR2KDM4ENPC1ALOX15TSHR
SCHEMBL14026125 0.81 CNR2 (0.61) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL541880 0.81 CNR2 (0.62) CNR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL3378860 0.80 CNR2 (0.62) CNR2KDM4ENPC1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 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 (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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 CNR2 1/4885KDM4E 2470/4885NPC1 1587/4885

“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.