SCHEMBL4471993

SCHEMBL4471993

CCOC(=O)c1cnc(Nc2cccc(Cl)c2)nc1CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SIRT5 Q9NXA8 2/20 0.58
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SYK P43405 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
CNR2 P34972 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL5711129 0.88 SIRT5 (0.53) MAPTSIRT5NPC1KDM4EALDH1A1
SCHEMBL4475764 0.86 CNR2 (0.53) SIRT5SYKCNR2CYP1A2CYP2C9
SCHEMBL4471408 0.85 SIRT5 (0.56) MAPTSIRT5NPC1KDM4EALDH1A1
SCHEMBL4896479 0.85 SIRT5 (0.56) MAPTSIRT5NPC1KDM4EALDH1A1
SCHEMBL4480454 0.84 SIRT5 (0.53) MAPTSIRT5NPC1KDM4EALDH1A1
SCHEMBL14981500 0.81 SYK (0.78) MAPTSIRT5KDM4EALDH1A1SYK
SCHEMBL4493023 0.76 CNR2 (0.73) CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL4493029 0.76 CNR2 (0.54) SYKCNR2CYP1A2CYP2C9CYP2C19
SCHEMBL11647269 0.76 MAPT (0.58) MAPTNPC1KDM4EALDH1A1MAPK1
SCHEMBL654070 0.76 SYK (0.63) SIRT5SYKMAPK1HTT

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-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
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-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 (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-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders CNR2, CNR1, P2RY2 MAPT 2391/4885SIRT5 1292/4885NPC1 1805/4885

“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.