SCHEMBL3593890

SCHEMBL3593890

O=C(NCC1CCC1)c1cnc(Nc2ccccc2Cl)nc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.73
CYP2C9 P11712 7/20 0.72
CYP1A2 P05177 6/20 0.72
CYP3A4 P08684 6/20 0.71
CYP2C19 P33261 6/20 0.71
CYP2D6 P10635 4/20 0.71

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
SCHEMBL4430544 0.98 CNR2 (0.73) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3380295 0.93 CNR2 (0.85) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3382163 0.92 CNR2 (0.85) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3378659 0.91 CNR2 (0.85) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3378107 0.90 CNR2 (0.84) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3381076 0.90 CNR2 (0.85) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3379472 0.89 CNR2 (0.84) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3383131 0.89 CNR2 (0.84) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3381780 0.89 CNR2 (0.85) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3380966 0.89 CNR2 (0.85) CNR2CYP2C9CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 EP disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 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-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885CYP2C9 969/4885CYP1A2 1165/4885

“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.