SCHEMBL1892085

SCHEMBL1892085

CCOC(=O)C(C#N)=CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 7/20 0.58
LMNA P02545 3/20 0.58
KMT2A Q03164 2/20 0.58
DHODH Q02127 3/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL1892083 1.00 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL16522194 1.00 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ELMNAKMT2A
4-Nitroaniline SCHEMBL7841864 0.94 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNAKMT2A
4-Nitroaniline SCHEMBL7841869 0.94 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL11241197 0.86 RAB9A (0.54) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL11241195 0.86 RAB9A (0.54) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL5256107 0.86 KDM4E (0.69) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL5256103 0.86 KDM4E (0.69) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL537859 0.84 DHODH (0.69) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL4964597 0.83 DHODH (0.57) ALDH1A1MAPTKDM4ELMNAKMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO disclosed
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP disclosed
EP-1549297-A2 STABILIZED PHARMACEUTICAL COMPOSITION CONTAINING BASIC EXCIPIENTS Wyeth Holdings Corporation (US) 2005-07-06 EP disclosed
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 EP disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 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 (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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885MAPT 4563/4885KDM4E 1032/4885

“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.