SCHEMBL3845152

SCHEMBL3845152

COc1ccc2ncc(C(N)=O)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.78
ALDH1A1 P00352 1/20 0.62
F2 P00734 1/20 0.62
GLA P06280 1/20 0.62
HPGD P15428 1/20 0.62
KDM4E B2RXH2 3/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
ALPL P05186 1/20 0.57
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
PARP1 P09874 2/20 0.50
APP P05067 1/20 0.50
EGFR P00533 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50

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
SCHEMBL29535200 0.88 HPGDS (0.61) HPGDSALDH1A1F2GLAHPGD
SCHEMBL4370942 0.88 HPGDS (1.00) HPGDSCYP11B1CYP11B2
SCHEMBL30504588 0.88 HPGDS (1.00) HPGDSCYP11B1CYP11B2
SCHEMBL4407431 0.86 ALDH1A1 (0.68) HPGDSALDH1A1F2GLAHPGD
SCHEMBL61795 0.86 ALDH1A1 (0.64) HPGDSALDH1A1F2GLAHPGD
SCHEMBL4145819 0.85 ALDH1A1 (0.59) HPGDSALDH1A1F2GLAHPGD
SCHEMBL20799517 0.85 ALDH1A1 (0.62) HPGDSALDH1A1F2GLAHPGD
Hydrochloric Acid SCHEMBL6085328 0.85 ALDH1A1 (0.62) HPGDSALDH1A1F2GLAHPGD
SCHEMBL1353255 0.82 HPGDS (0.63) HPGDSALDH1A1F2GLAHPGD
SCHEMBL5405254 0.82 HPGDS (0.55) HPGDSKDM4EALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387830-A1 NOVEL 4-ANILINOQUINOLINE-3-CARBOXAMIDES AstraZeneca AB (SE) 2004-02-11 EP claimed
WO-2002092571-A1 NOVEL 4-ANILINOQUINOLINE-3-CARBOXAMIDES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-1687276-B1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2009-10-14 EP disclosed
CN-100537540-C Process for preparing 3-fluoroquinolines AVENTIS PHARMA SA (FR) 2009-09-09 CN disclosed
US-7396934-B2 Process for preparing 3-fluoroquinolines NOVEXEL (FR) 2008-07-08 US disclosed
CN-1894216-A Novel process for preparing 3-fluoroquinolines AVENTIS PHARMA SA (FR) 2007-01-10 CN disclosed
EP-1687276-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2006-08-09 EP disclosed
US-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound AVENTIS PHARMA S.A. (US) 2005-08-18 US disclosed
WO-2005049575-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2005-06-02 WO disclosed
EP-1387830-A1 NOVEL 4-ANILINOQUINOLINE-3-CARBOXAMIDES AstraZeneca AB (SE) 2004-02-11 EP disclosed
WO-2002092571-A1 NOVEL 4-ANILINOQUINOLINE-3-CARBOXAMIDES ASTRAZENECA AB (SE) 2002-11-21 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 HPGDS 480/4885ALDH1A1 2731/4885F2 3837/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 HPGDS 480/4885ALDH1A1 2731/4885F2 3837/4885
US-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound QRFPR, NQO2, DHX35 HPGDS 4341/4885ALDH1A1 2137/4885F2 3610/4885

“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.