SCHEMBL4649768

SCHEMBL4649768

O=Cc1cnc(Nc2cccc(Cl)c2)cc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.54
PRKDC P78527 1/20 0.47
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
EGFR P00533 2/20 0.42
ERBB3 P21860 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
ROCK1 Q13464 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TNNI3K Q59H18 1/20 0.41
IGF1R P08069 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4649273 0.81 CNR2 (0.66) CNR2EGFRCYP1A2CYP2D6CYP2C9
SCHEMBL4649605 0.79 CNR2 (0.56) CNR2PRKDCCHRNB4CHRNA3EGFR
SCHEMBL4649078 0.78 CNR2 (0.57) CNR2PRKDCCYP1A2CYP2D6CYP2C9
SCHEMBL14005877 0.77 CNR2 (0.49) CNR2PRKDCCHRNB4CHRNA3EGFR
SCHEMBL14005869 0.77 CNR2 (0.59) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4897267 0.77 GRM5 (0.50) CNR2EGFRIGF1RCYP1A2CYP2D6
SCHEMBL14005870 0.76 CNR2 (0.51) CNR2PRKDCCHRNB4CHRNA3EGFR
SCHEMBL4649292 0.76 CNR2 (0.48) CNR2PRKDCCHRNB4CHRNA3EGFR
SCHEMBL4649279 0.76 CNR2 (0.59) CNR2PRKDCEGFRERBB3HTR3E
SCHEMBL14006024 0.75 CNR2 (0.57) CNR2PRKDCCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
EP-1718613-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080342-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 CNR2 1/4885PRKDC 4152/4885CHRNB4 180/4885

“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.