SCHEMBL8093488

SCHEMBL8093488

Cn1c(=O)n(-c2ccccn2)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
FEN1 P39748 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GRM4 Q14833 2/20 0.41
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAT2A P31153 2/20 0.39
DPP4 P27487 1/20 0.39
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
CCNT1 O60563 1/20 0.38
PIM1 P11309 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL11436450 0.89 PDE10A (0.51) PDE10AFEN1SMN1; SMN2POLBGAA
SCHEMBL14094434 0.87 SMN1; SMN2 (0.47) PDE10ASMN1; SMN2POLBALDH1A1GRM4
SCHEMBL8229399 0.80 GRM4 (0.44) PDE10ASMN1; SMN2POLBGAAGRM4
SCHEMBL3515107 0.79 FEN1 (0.53) PDE10AFEN1SMN1; SMN2POLBALDH1A1
SCHEMBL8419423 0.76 GRM4 (0.46) PDE10AFEN1GRM4
SCHEMBL21958529 0.75 FEN1 (0.66) FEN1SMN1; SMN2POLBALDH1A1CCNT1
SCHEMBL11434986 0.74 PDE10A (0.44) PDE10ASMN1; SMN2POLBGAAALDH1A1
SCHEMBL2068569 0.72 FEN1 (0.46) PDE10AFEN1
SCHEMBL13322658 0.72 FEN1 (0.46) FEN1SMN1; SMN2POLBALDH1A1GRM4
SCHEMBL29117987 0.72 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1PDCD1CD274MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385050-A1 A process for preparing a substituted oxazole Schering Corporation (US) 2011-11-09 EP disclosed
EP-2385051-A1 Process for making a substituted oxazole Schering Corporation (US) 2011-11-09 EP disclosed
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 EP disclosed
US-7985860-B2 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives SCHERING CORPORATION (US) 2011-07-26 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2009009003-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION (US) 2009-01-15 WO disclosed
WO-2008021235-A2 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 2-(QUINOLIN-5-YL)-4,5 DISUBSTITUTED-AZOLE DERIVATIVES SCHERING CORPORATION (US) 2008-02-21 WO disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 US disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R PDE10A 1789/4885FEN1 4450/4885SMN1; SMN2 4298/4885
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives PDE4B, PDE4A, PDE3B PDE10A 19/4885FEN1 3039/4885SMN1; SMN2 4433/4885

“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.