SCHEMBL4471408

SCHEMBL4471408

CCOC(=O)c1cnc(Nc2cccc(Cl)c2)nc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.49
SYK P43405 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CNR2 P34972 7/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FGFR1 P11362 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
SCHEMBL4480454 0.90 SIRT5 (0.53) SIRT5MAPTKDM4EALDH1A1NPC1
SCHEMBL4896479 0.85 SIRT5 (0.56) SIRT5MAPTKDM4EALDH1A1NPC1
SCHEMBL4471993 0.85 MAPT (0.58) SIRT5MAPTKDM4EALDH1A1NPC1
SCHEMBL4479541 0.85 HDAC3 (0.51) MAPTALDH1A1SYKCNR2SMN1; SMN2
SCHEMBL5079702 0.83 MAPT (0.53) SIRT5MAPTKDM4EALDH1A1NPC1
SCHEMBL5711129 0.80 SIRT5 (0.53) SIRT5MAPTKDM4EALDH1A1NPC1
SCHEMBL14981500 0.77 SYK (0.78) SIRT5MAPTKDM4EALDH1A1SYK
SCHEMBL4891634 0.77 SYK (0.50) MAPTSYKCNR2HDAC3HDAC1
SCHEMBL4479173 0.76 CNR2 (0.72) CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL4479176 0.75 CNR2 (0.52) SYKCNR2HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
US-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders GLAXO GROUP LIMITED (GB) 2009-10-22 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
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
EP-1711475-A1 2-(PHENYLAMINO)-PYRIMIDIN-5-AMIDES AS CANNABINOID 2 RECEPTORS MODULATORS FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS. GLAXO GROUP LIMITED (GB) 2006-10-18 EP disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 WO disclosed
WO-2005075440-A1 2- (PHENYLAMINO) -PYRIMIDIN-5-AMIDES AS CANNABINOID 2 RECEPTORS MODULATORS FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-18 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 (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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 SIRT5 1904/4885MAPT 2949/4885KDM4E 2470/4885
US-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders CNR2, CNR1, P2RY2 SIRT5 1292/4885MAPT 2391/4885KDM4E 1822/4885

“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.