SCHEMBL3379651

SCHEMBL3379651

O=C(O)c1cnc(Nc2ccc(C(F)(F)F)cc2F)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.51
SORT1 Q99523 1/20 0.44
MAPT P10636 1/20 0.44
AURKA O14965 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
DHODH Q02127 1/20 0.42
GAA P10253 1/20 0.42
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41
MAPK8 P45983 1/20 0.41
MPO P05164 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL3382226 0.89 CNR2 (0.62) CNR2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3381071 0.87 CNR2 (0.54) CNR2SORT1MAPTAURKACYP1A2
SCHEMBL3379517 0.87 CNR2 (0.63) CNR2CYP1A2CYP3A4CYP2C9
SCHEMBL3383199 0.87 CNR2 (0.50) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3380705 0.81 CNR2 (0.62) CNR2CYP1A2CYP3A4CYP2C9
SCHEMBL3414461 0.81 CNR2 (0.51) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3377973 0.80 CNR2 (0.63) CNR2AURKACYP1A2CYP3A4CYP2C9
SCHEMBL3378711 0.80 CNR2 (0.72) CNR2CYP1A2CYP3A4CYP2C9
SCHEMBL3383333 0.80 CNR2 (0.62) CNR2AURKACYP1A2CYP3A4CYP2C9
SCHEMBL3379861 0.79 HDAC3 (0.54) CNR2CYP1A2CYP3A4CYP2C9MAPK8

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 5 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-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 1/4885SORT1 4861/4885MAPT 2894/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885SORT1 4874/4885MAPT 2435/4885

“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.