SCHEMBL3380965

SCHEMBL3380965

O=C(c1cnc(Nc2cc(Cl)ccc2Cl)nc1C(F)(F)F)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.57
CYP3A4 P08684 5/20 0.49
CYP2C9 P11712 5/20 0.49
CYP1A2 P05177 4/20 0.49
LRRK2 Q5S007 5/20 0.46
CYP2C19 P33261 4/20 0.46
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2D6 P10635 2/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL3380963 0.90 CNR2 (0.65) CNR2CYP3A4CYP2C9CYP1A2LRRK2
SCHEMBL3380758 0.84 CNR2 (0.64) CNR2CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL3380533 0.83 ATF1 (0.56) CNR2CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL3381152 0.83 CNR2 (0.62) CNR2CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL29510127 0.82 CNR2 (0.65) CNR2CYP3A4CYP2C9CYP1A2LRRK2
SCHEMBL3377550 0.82 CNR2 (0.65) CNR2CYP3A4CYP2C9CYP1A2LRRK2
SCHEMBL5078999 0.80 CNR2 (0.59) CNR2CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL3377534 0.79 CNR2 (0.66) CNR2CYP3A4CYP2C9CYP1A2LRRK2
SCHEMBL3383218 0.79 CNR2 (0.58) CNR2CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL3382632 0.78 CNR2 (0.84) CNR2CYP3A4CYP2C9CYP1A2CYP2C19

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 10 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
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 CNR2 1/4885CYP3A4 2031/4885CYP2C9 1187/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885CYP3A4 1711/4885CYP2C9 969/4885

“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.