SCHEMBL2980371

SCHEMBL2980371

Cc1oc(-c2ccccc2)nc1CC#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
HRH3 Q9Y5N1 3/20 0.52
HPGD P15428 3/20 0.51
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KDR P35968 1/20 0.46
LMNA P02545 1/20 0.46
PDE10A Q9Y233 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FFAR1 O14842 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PPARD Q03181 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4035030 0.84 HRH3 (0.57) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL22630335 0.84 HSD17B10 (0.50) KDM4EHPGDPPARARAB9ANPC1
SCHEMBL5099115 0.84 TARBP2 (0.47) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL1758572 0.84 KDM4E (0.63) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL5726983 0.84 KDM4E (0.59) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL14736616 0.83 USP1 (0.45) KDM4EHRH3HPGDRAB9ANPC1
SCHEMBL5103005 0.83 RXFP1 (0.49) KDM4EPPARGPPARARAB9ANPC1
SCHEMBL9096448 0.82 ALDH1A1 (0.50) KDM4ERAB9ANPC1LMNAKMT2A
SCHEMBL13722410 0.81 KDM4E (0.56) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL5759578 0.81 KDM4E (0.47) KDM4EPPARGPPARARAB9ALMNA

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-7772264-B2 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. (US) 2010-08-10 US disclosed
US-7772264-B2 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. (US) 2010-08-10 US disclosed
US-7772264-B2 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. (US) 2010-08-10 US disclosed
CN-101146801-A Novel salts and polymorphs of a DPP-IV inhibitor HOFFMANN LA ROCHE (CH) 2008-03-19 CN disclosed
EP-1888571-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. Hoffmann-Roche AG (CH) 2008-02-20 EP disclosed
WO-2006108491-A1 IMPROVED PROCESS FOR PREPARING OXAZOLE NITRILES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2006-10-19 WO disclosed
US-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. 2006-09-28 US disclosed
WO-2006100181-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
WO-2006100181-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 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-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor DPP4, DPP3, DPP9 KDM4E 1304/4885HRH3 3570/4885HPGD 2438/4885

“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.