SCHEMBL4894744

SCHEMBL4894744

CC(C)CNC(C)c1cnc(Nc2cccc(F)c2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
CDK4 P11802 2/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRM5 P41594 1/20 0.40
SYK P43405 2/20 0.39
TBK1 Q9UHD2 1/20 0.39
CFTR P13569 2/20 0.39
CTSC P53634 1/20 0.39
AURKA O14965 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL4896793 0.88 CNR2 (0.52) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL4890233 0.85 CNR2 (0.50) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4889084 0.83 CNR2 (0.54) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4893291 0.82 CNR2 (0.47) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4895532 0.82 CNR2 (0.52) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4896362 0.77 CNR2 (0.51) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4894390 0.76 CNR2 (0.50) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4886226 0.75 CNR2 (0.61) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4893853 0.73 CNR2 (0.59) CNR2CDK4CCND1CCND2CCND3
SCHEMBL4898977 0.73 CNR2 (0.65) CNR2CYP1A2CYP2C9CYP2C19CYP3A4

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 3 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

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 1/4885CDK4 346/4885CCND1 1101/4885

“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.