SCHEMBL4479541

SCHEMBL4479541

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CNR2 P34972 9/20 0.50
CAMK2D Q13557 1/20 0.50
CSNK2A2 P19784 2/20 0.49
CSNK2B P67870 2/20 0.49
CSNK2A1 P68400 2/20 0.49
EGFR P00533 1/20 0.49
SYK P43405 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
MAOB P27338 1/20 0.46
GRM5 P41594 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL13672506 0.89 CAMK2D (0.49) HDAC3HDAC1HDAC2HDAC6CNR2
Hydrochloric Acid SCHEMBL4471954 0.88 CAMK2D (0.48) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL6510999 0.86 MAPK8 (0.54) HDAC6CNR2SYK
SCHEMBL4471408 0.85 SIRT5 (0.56) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL4895413 0.83 CNR2 (0.58) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL4475764 0.81 CNR2 (0.53) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL4479176 0.81 CNR2 (0.52) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL4894761 0.81 SYK (0.51) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL4891634 0.80 SYK (0.50) HDAC3HDAC1HDAC2HDAC6CNR2
Hydrochloric Acid SCHEMBL5077243 0.80 AKR1C3 (0.49) CNR2CSNK2A2CSNK2BCSNK2A1EGFR

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 10 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-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 HDAC3 3328/4885HDAC1 3454/4885HDAC2 2969/4885
US-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders CNR2, CNR1, P2RY2 HDAC3 1825/4885HDAC1 2426/4885HDAC2 1103/4885

“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.