Sugi Predict

Sugi Predict / Compounds / SCHEMBL4724693

SCHEMBL4724693

SCHEMBL4724693

CCOC(=O)/C(C#N)=C\Nc1ccc(OC)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.67
▸ KDM4E B2RXH2 8/20 0.67
▸ GAA P10253 3/20 0.67
▸ HPGD P15428 3/20 0.67
▸ PKM P14618 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ DHODH Q02127 2/20 0.62
▸ GLA P06280 1/20 0.57
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL14314065 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL4724694 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL20775210 0.89 NPSR1 (0.61) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL20775209 0.89 NPSR1 (0.61) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL22602175 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL2062533 0.87 DHODH (0.60) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL2062530 0.87 DHODH (0.60) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL13915762 0.86 NPSR1 (0.60) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL5295046 0.84 DHODH (0.65) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL28882654 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EGAAHPGDPKM

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-1963321-A2 DIBENZONAPHTHYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-09-03 — — EP disclosed
US-7388016-B2 Dibenzonaphthyridine derivatives and methods of use thereof WYETH (US) 2008-06-17 — — US disclosed
WO-2008035209-A2 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-27 — — WO disclosed
EP-1899319-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 — — EP disclosed
EP-1893206-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 — — EP disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 — — US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 — — US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 — — WO disclosed
WO-2007070319-A2 DIBENZONAPHTHYRIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-06-21 — — WO disclosed
US-20070135429-A1 Dibenzonaphthyridine derivatives and methods of use thereof WYETH (US) 2007-06-14 — — US disclosed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 — — EP disclosed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 — — EP disclosed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 — — 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-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 — — EP 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 (3 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1759/4885KDM4E 3960/4885GAA 225/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET ALDH1A1 3139/4885KDM4E 2282/4885GAA 764/4885
US-20070135429-A1 Dibenzonaphthyridine derivatives and methods of use thereof FANCD2, DDT, BRCA1 ALDH1A1 946/4885KDM4E 3409/4885GAA 733/4885

“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.