SCHEMBL214090

SCHEMBL214090

COC(=O)c1cc2ccccc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.56
GABRA1 P14867 3/20 0.54
GABRG2 P18507 3/20 0.54
GABRB3 P28472 3/20 0.54
GABRA5 P31644 3/20 0.54
GABRA3 P34903 3/20 0.54
GABRA2 P47869 3/20 0.54
KDM4E B2RXH2 3/20 0.54
CYP1A2 P05177 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRA4 P48169 2/20 0.54
GABRE P78334 2/20 0.54
GABRA6 Q16445 2/20 0.54
GABRG1 Q8N1C3 2/20 0.54

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
SCHEMBL29840564 1.00 LCK (0.56) LCKGABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL27800514 0.98 LCK (0.55) LCKGABRA1GABRG2GABRB3GABRA5
SCHEMBL29840495 0.88 EGLN1 (0.46) LCKGABRA1GABRG2GABRB3GABRA5
SCHEMBL29840579 0.88 EGLN1 (0.46) LCKGABRA1GABRG2GABRB3GABRA5
SCHEMBL9318876 0.84 EGLN1 (0.47) LCKGABRA1GABRG2GABRB3GABRA5
SCHEMBL1202164 0.83 LCK (0.55) LCKKDM4EALDH1A1HPGDMAPK1
SCHEMBL27950633 0.83 EGLN1 (0.43) LCKGABRA1GABRG2GABRB3GABRA5
SCHEMBL28674760 0.82 ABL1 (0.55) LCKGABRA1GABRG2GABRB3GABRA5
SCHEMBL6583631 0.82 ALDH1A1 (0.45) LCKGABRA1GABRG2GABRB3GABRA5
SCHEMBL3834448 0.81 KDM4E (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294833-B Isoquinolin -3- formyl-RI-OBzl are prepared, nanostructure, activity and application 首都医科大学 2018-09-07 CN claimed
CN-108017583-A A kind of preparation method for winning U.S. 徐州万邦金桥制药有限公司 2018-05-11 CN claimed
CN-104211767-B The formamido group acyl oligopeptides of isoquinolin 3, it is prepared, nanostructured, antitumor activity and application 首都医科大学 2017-08-18 CN claimed
CN-103450338-B The Thymopentin that heterocyclic carboxylic acid is modified, it prepares, antitumor action and application 首都医科大学 2016-08-24 CN claimed
CN-103435546-B Process for preparing isoquinoline compounds 菲布罗根有限公司 2016-08-10 CN claimed
CN-102584699-B Process for preparing 3-acetylisoquinoline and derivatives thereof NANO & ADVANCED MATERIALS INST LTD 2014-08-20 CN claimed
CN-103435546-A Process for preparing isoquinoline compounds FIBROGEN INC 2013-12-11 CN claimed
CN-102584699-A Process for preparing 3-acetylisoquinoline and derivatives thereof NANO & ADVANCED MATERIALS INST LTD 2012-07-18 CN claimed
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS KOJIN THERAPEUTICS INC (US) 2026-02-05 US disclosed
EP-4565228-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2025-06-11 EP disclosed
WO-2024217500-A1 ISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-24 WO disclosed
CN-114423749-B Isoquinoline derivatives and their use for the treatment of parasitic infections 拜耳动物保健有限责任公司 2024-10-01 CN disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
CN-1107145-A Substituted heterocyclic carboxamides, their preparation and their use as pharmaceuticals HOECHST AG (DE) 1995-08-23 CN disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 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-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS AIFM2, GPX4, HMOX1 LCK 2684/4885GABRA1 3371/4885GABRG2 3298/4885

“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.