SCHEMBL9838799

SCHEMBL9838799

c1ccc(-c2ccc3cccnc3c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
CYP2C19 P33261 1/20 0.52
NR4A2 P43354 1/20 0.52
NPC1 O15118 4/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PI4KA P42356 1/20 0.50
PIK3CG P48736 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 6/20 0.46
LMNA P02545 4/20 0.46

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
SCHEMBL31121089 1.00 ALDH1A1 (0.52) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL4420314 0.85 NPC1 (0.71) ALDH1A1CYP1A2KMT2AHTTCASP1
SCHEMBL29485612 0.84 NPC1 (0.68) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL3726615 0.84 NPC1 (0.68) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL7914859 0.84 NPC1 (0.58) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL30938000 0.84 NPC1 (0.58) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL730330 0.82 KDM4E (0.63) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL29445842 0.82 KDM4E (0.63) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL24454171 0.82 KDM4E (0.52) ALDH1A1CYP1A2KMT2AHTTMEN1
SCHEMBL6033625 0.82 ALDH1A1 (0.49) ALDH1A1CYP1A2KMT2AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 US disclosed
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4933335-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-06-12 US disclosed
EP-0172651-B1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1990-02-07 EP disclosed
EP-0153163-B1 7-SUBSTITUTED-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACIDS; 7-SUBSTITUTED-1-CYCLOPROPYL-1,4-DIHYDRO-6-FLUORO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS; THEIR DERIVATIVES; AND A PROCESS FOR PREPARING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1989-12-27 EP disclosed
EP-0302525-A2 Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-08 EP disclosed
US-4803205-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-07 US disclosed
EP-0106489-B1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1988-07-27 EP disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
US-4604401-A QUINOLINE-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1986-08-05 US disclosed
EP-0172651-A1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0169710-A2 7-Substituted-6-fluoro-8-substituted-1,4-dihydro-1-methylamino-4-oxo-3-quinolinecarboxylic acids; 7-substituted-6-fluoro-1,4-dihydro-1-methylamino-4-oxo-3-naphthyridine carboxylic acids; derivatives thereof; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-01-29 EP disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP 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-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 ALDH1A1 913/4885CYP1A2 444/4885KMT2A 4002/4885

“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.