SCHEMBL5250995

SCHEMBL5250995

Cc1cc(N)cc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.61
CYP2A6 P11509 3/20 0.61
ALDH1A1 P00352 8/20 0.50
BACE1 P56817 1/20 0.48
HSD17B10 Q99714 5/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
HIF1A Q16665 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1B1 Q16678 1/20 0.41
PKM P14618 1/20 0.41
PLAU P00749 1/20 0.41
HTR2A P28223 1/20 0.40
NCF1 P14598 1/20 0.39

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
SCHEMBL5747113 0.83 ALDH1A1 (0.50) CYP1A2CYP2A6ALDH1A1BACE1HSD17B10
SCHEMBL23313172 0.77 TNKS2 (0.46) CYP1A2CYP2A6ALDH1A1BACE1HSD17B10
SCHEMBL21698475 0.77 MAOA (0.44) ALDH1A1BACE1HSD17B10CYP3A4HPGD
SCHEMBL29487594 0.76 ALDH1A1 (0.54) CYP1A2CYP2A6ALDH1A1HSD17B10CYP3A4
SCHEMBL7218852 0.76 ALDH1A1 (0.48) CYP1A2CYP2A6ALDH1A1HSD17B10CYP3A4
SCHEMBL29352143 0.76 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1BACE1HSD17B10
SCHEMBL598829 0.76 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1BACE1HSD17B10
SCHEMBL2153752 0.76 ALDH1A1 (0.54) CYP1A2CYP2A6ALDH1A1HSD17B10CYP3A4
SCHEMBL14100536 0.76 CYP1A2 (0.63) CYP1A2CYP2A6ALDH1A1HSD17B10CYP3A4
SCHEMBL1402233 0.74 CYP1A2 (0.64) CYP1A2CYP2A6ALDH1A1BACE1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230728-B 1,2-diketone naphthalene compounds and preparation method and application 山东大学 2016-08-24 CN claimed
US-20230380264-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2023-11-23 US disclosed
EP-3722301-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-11-01 EP disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
WO-2022262686-A1 KRAS G12D INHIBITORS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-22 WO disclosed
WO-2021139678-A1 PYRIDOPYRIMIDINE KRAS G12C MUTANT PROTEIN INHIBITOR 广州百霆医药科技有限公司 2021-07-15 WO disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
US-6441131-B1 SYNTHETIC PEPTIDES WITH TERMINAL ANILINE, AMINOCOUMARINE, OR AMINONAPHTHALENE DERIVATIVE RESIDUE AS SUBSTRATE FOR HUMAN PEPSIN OR PEPSINOGEN; DIAGNOSIS OF GASTROINTESTINAL DISORDERS SUCH AS GASTRIC CANCER OR GASTRIC ULCERS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-27 US disclosed
US-20020099019-A1 Peptides, methods for assaying human pepsinogen I or human pepsin I and assay kits HAYASHI AKIO (JP) 2002-07-25 US disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
US-6407206-B1 PEPTIDE SUBSTRATE AND OLIGOPEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 US disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-1046650-A1 PEPTIDES, METHOD FOR ASSAYING HUMAN PEPSINOGEN II or HUMAN PEPSIN II, AND ASSAYING KIT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-25 EP disclosed
EP-0959078-A1 PEPTIDES, METHODS FOR ASSAYING HUMAN PEPSINOGEN I OR HUMAN PEPSIN I, AND ASSAY KITS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-11-24 EP disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US 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 (4 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-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP1A2 1836/4885CYP2A6 3522/4885ALDH1A1 2326/4885
US-20020099019-A1 Peptides, methods for assaying human pepsinogen I or human pepsin I and assay kits ANPEP, DAO, ARGLU1 CYP1A2 1623/4885CYP2A6 1891/4885ALDH1A1 2289/4885
US-20230380264-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TIMCC, ICOSLG, NUDT1 CYP1A2 3531/4885CYP2A6 4576/4885ALDH1A1 2471/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CYP2A6 3163/4885ALDH1A1 4178/4885

“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.