SCHEMBL3380646

SCHEMBL3380646

Cc1cccc(Cl)c1Nc1ncc(C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.53
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
CYP1A2 P05177 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 2/20 0.43
XPO1 O14980 1/20 0.42

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
SCHEMBL3381363 0.92 CNR2 (0.60) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3382951 0.86 CNR2 (0.46) CNR2CYP1A2XPO1
SCHEMBL3381078 0.84 CNR2 (0.59) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3382111 0.84 CNR2 (0.53) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3382356 0.82 CNR2 (0.46) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3378616 0.81 CNR2 (0.62) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5079751 0.81 CNR2 (0.57) CNR2CYP1A2CYP2C9
SCHEMBL27694711 0.81 CNR2 (0.72) CNR2JAK2CYP1A2CYP2C9XPO1
SCHEMBL3378732 0.81 CNR2 (0.63) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3379533 0.80 CNR2 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100351239-C Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2007-11-28 CN claimed
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-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 EP disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 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 (2 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-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 CNR2 1/4885JAK2 887/4885JAK1 2800/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885JAK2 976/4885JAK1 2939/4885

“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.