SCHEMBL4896910

SCHEMBL4896910

COC(=O)c1cnc(Nc2cccc(Cl)c2)nc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.51
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
IGF1R P08069 1/20 0.48
GRM5 P41594 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAOB P27338 2/20 0.46
SYK P43405 1/20 0.46
MAOA P21397 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
MEN1 O00255 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
SCHEMBL4892884 0.88 CNR2 (0.53) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4893858 0.79 CNR2 (0.67) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4897267 0.78 GRM5 (0.50) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4896897 0.77 GRM5 (0.49) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12615369 0.74 SLC6A3 (0.38) CNR2LMNAMAPT
SCHEMBL25248131 0.73 HDAC3 (0.52) PIM1PIM2GRM5HDAC3HDAC1
SCHEMBL14026110 0.73 CNR2 (0.55) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL18434186 0.73 SYK (0.57) CNR2IGF1RGRM5HDAC3HDAC1
SCHEMBL17134974 0.72 EGFR (0.54) CNR2CYP3A4CYP2C19CYP1A2PIM1
SCHEMBL7271426 0.72 MEN1 (0.58) CYP3A4CYP2C9CYP1A2PIM1PIM2

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 1/4885CYP3A4 1614/4885CYP2C9 729/4885

“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.