SCHEMBL4479176

SCHEMBL4479176

CC(C)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)N(C)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.52
CYP3A4 P08684 5/20 0.52
CYP2C9 P11712 5/20 0.52
CYP2C19 P33261 5/20 0.52
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
GRM5 P41594 3/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
SYK P43405 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4493029 0.86 CNR2 (0.54) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4479173 0.81 CNR2 (0.72) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4479541 0.81 HDAC3 (0.51) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4471408 0.75 SIRT5 (0.56) CNR2CYP2C9CYP2C19CYP1A2SYK
SCHEMBL13672506 0.75 CAMK2D (0.49) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13672507 0.75 CNR2 (0.73) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL4471954 0.74 CAMK2D (0.48) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3378679 0.74 CNR2 (0.71) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4894761 0.74 SYK (0.51) CNR2GRM5MAOBMAOASYK
SCHEMBL3379907 0.73 CNR2 (0.54) CNR2CYP3A4CYP2C9CYP2C19CYP1A2

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 3 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
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 CNR2 1/4885CYP3A4 2324/4885CYP2C9 1051/4885

“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.