SCHEMBL3380533

SCHEMBL3380533

O=C(c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 2/20 0.56
NFKB1 P19838 2/20 0.56
CNR2 P34972 18/20 0.55
CYP2C9 P11712 8/20 0.55
CYP2C19 P33261 8/20 0.55
CYP3A4 P08684 7/20 0.55
CYP2D6 P10635 5/20 0.55
CYP1A2 P05177 5/20 0.50

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
SCHEMBL3380758 0.90 CNR2 (0.64) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3380961 0.89 CNR2 (0.63) ATF1NFKB1CNR2CYP2C9CYP2C19
SCHEMBL3383218 0.84 CNR2 (0.58) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3380965 0.83 CNR2 (0.57) ATF1NFKB1CNR2CYP2C9CYP2C19
SCHEMBL3379428 0.82 CNR2 (0.60) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3381215 0.81 CNR2 (0.60) ATF1NFKB1CNR2CYP2C9CYP2C19
SCHEMBL13069944 0.81 CNR2 (0.60) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3378797 0.80 CNR2 (0.65) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3381032 0.80 CNR2 (0.65) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3382420 0.80 CNR2 (0.60) CNR2CYP2C9CYP2C19CYP3A4CYP2D6

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 11 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-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-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 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
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 ATF1 889/4885NFKB1 2405/4885CNR2 1/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 ATF1 1190/4885NFKB1 2616/4885CNR2 1/4885

“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.