SCHEMBL4889009

SCHEMBL4889009

CC(C)CNCc1cnc(Nc2cccc(C#N)c2)nc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.54
SYK P43405 5/20 0.49
PTK2 Q05397 1/20 0.46
CDC7 O00311 1/20 0.44
MAOB P27338 1/20 0.42
GRM5 P41594 1/20 0.42
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL4895532 0.86 CNR2 (0.52) CNR2GRM5CDK4
SCHEMBL14045886 0.85 SYK (0.50) CNR2SYKPTK2CDC7MAOB
SCHEMBL4886236 0.85 CNR2 (0.53) CNR2SYK
SCHEMBL14026161 0.83 CNR2 (0.58) CNR2SYKPTK2CDC7MAOB
SCHEMBL4893836 0.82 CNR2 (0.63) CNR2SYKPTK2CDC7MAOB
SCHEMBL14026150 0.81 CNR2 (0.55) CNR2SYKPTK2CDC7MAOB
SCHEMBL14045927 0.81 CNR2 (0.51) CNR2SYK
Formic Acid SCHEMBL4895900 0.81 CNR2 (0.57) CNR2SYKPTK2CDC7MAOB
Formic Acid SCHEMBL4894255 0.79 CNR2 (0.55) CNR2SYKPTK2CDC7MAOB
SCHEMBL4893763 0.78 CNR2 (0.55) CNR2SYK

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 2 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

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 2878/4885PTK2 4033/4885

“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.