SCHEMBL4897124

SCHEMBL4897124

N#Cc1cccc(Nc2ncc(C=O)c(C(F)(F)F)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.62
SYK P43405 3/20 0.57
CDC7 O00311 1/20 0.51
MAOB P27338 1/20 0.50
GRM5 P41594 1/20 0.50
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PTK2 Q05397 1/20 0.45
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL14045934 0.84 SYK (0.57) CNR2SYKCDC7MAOBGRM5
SCHEMBL4893853 0.83 CNR2 (0.59) CNR2SYKGRM5CYP1A2CYP3A4
SCHEMBL4888807 0.82 CNR2 (0.61) CNR2SYKMAOBGRM5CYP1A2
SCHEMBL3378844 0.82 CNR2 (0.74) CNR2SYKCDC7CYP1A2CYP3A4
SCHEMBL4893836 0.81 CNR2 (0.63) CNR2SYKCDC7MAOBGRM5
SCHEMBL4897060 0.79 CNR2 (0.67) CNR2SYK
Formic Acid SCHEMBL4895900 0.77 CNR2 (0.57) CNR2SYKCDC7MAOBGRM5
Formic Acid SCHEMBL4894255 0.77 CNR2 (0.55) CNR2SYKCDC7MAOBGRM5
SCHEMBL4889009 0.77 CNR2 (0.54) CNR2SYKCDC7MAOBGRM5
SCHEMBL5780485 0.77 CNR2 (1.00) CNR2CYP1A2CYP3A4CYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 WO 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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 CNR2 1/4885SYK 2878/4885CDC7 2558/4885

“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.