SCHEMBL4893324

SCHEMBL4893324

CC(C)(C)c1nc(Nc2cccc(Cl)c2)ncc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
GRM5 P41594 3/20 0.48
MAOB P27338 2/20 0.48
CNR2 P34972 12/20 0.47
MAOA P21397 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP2C9 P11712 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 2/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45

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
SCHEMBL4888807 0.88 CNR2 (0.61) SYKGRM5MAOBCNR2CYP2C9
SCHEMBL4894761 0.82 SYK (0.51) SYKGRM5MAOBCNR2MAOA
SCHEMBL4895413 0.81 CNR2 (0.58) SYKCNR2HDAC3HDAC1HDAC2
SCHEMBL4893895 0.79 CNR2 (0.52) SYKGRM5MAOBCNR2HDAC3
SCHEMBL4897267 0.77 GRM5 (0.50) SYKGRM5MAOBCNR2MAOA
SCHEMBL5708624 0.76 SYK (0.47) SYKGRM5MAOBCNR2MAOA
SCHEMBL14026184 0.76 CNR2 (0.45) SYKGRM5MAOBCNR2CYP2C9
SCHEMBL15332714 0.76 HDAC3 (0.59) SYKGRM5MAOBCNR2MAOA
SCHEMBL4896479 0.75 SIRT5 (0.56) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL14026185 0.74 CNR2 (0.60) SYKGRM5MAOBCNR2CYP2C9

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
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
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 SYK 2878/4885GRM5 175/4885MAOB 1539/4885

“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.