SCHEMBL3383333

SCHEMBL3383333

O=C(O)c1cnc(Nc2cccc(F)c2F)nc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.62
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
TAS2R14 Q9NYV8 1/20 0.47
AURKA O14965 4/20 0.46
MAPK8 P45983 3/20 0.46
CDC7 O00311 1/20 0.46
ALK Q9UM73 1/20 0.46
AURKB Q96GD4 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL3382269 0.89 ULK1 (0.53) CNR2CYP1A2CYP2C9TAS2R14CDC7
SCHEMBL3378732 0.88 CNR2 (0.63) CNR2CYP1A2CYP2C9TAS2R14CYP3A4
SCHEMBL3378616 0.82 CNR2 (0.62) CNR2CYP1A2CYP2C9TAS2R14CYP3A4
SCHEMBL27694711 0.81 CNR2 (0.72) CNR2CYP1A2CYP2C9TAS2R14AURKA
SCHEMBL3380303 0.81 TAS2R14 (0.60) CNR2CYP1A2TAS2R14MAPK8CDC7
SCHEMBL3382226 0.81 CNR2 (0.62) CNR2CYP1A2CYP2C9TAS2R14CDC7
SCHEMBL3381078 0.80 CNR2 (0.59) CNR2CYP1A2CYP2C9TAS2R14CYP3A4
SCHEMBL3382111 0.80 CNR2 (0.53) CNR2CYP1A2CYP2C9TAS2R14CYP3A4
SCHEMBL3379651 0.80 CNR2 (0.51) CNR2CYP1A2CYP2C9AURKAMAPK8
SCHEMBL3380705 0.80 CNR2 (0.62) CNR2CYP1A2CYP2C9CYP3A4CYP2D6

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
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
CN-100351239-C Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2007-11-28 CN disclosed
CN-1688552-A Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2005-10-26 CN 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 1/4885CYP1A2 1165/4885CYP2C9 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.