SCHEMBL464410

SCHEMBL464410

CCc1ccc2cccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.53
MEN1 O00255 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
NR4A2 P43354 1/20 0.53
CYP3A4 P08684 3/20 0.50
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL6114416 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2MEN1CASP1CASP7
SCHEMBL11833 0.85 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2A6CASP1HTT
Quinoline SCHEMBL27593158 0.84 CYP1A2 (0.59) ALDH1A1CYP1A2CYP2A6MEN1CASP1
Ammonia Solution, Strong SCHEMBL28864729 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2A6CASP1HTT
SCHEMBL6115165 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2MEN1CASP1CASP7
SCHEMBL28334011 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2A6MEN1CASP1
Ethane SCHEMBL9847468 0.81 ALDH1A1 (0.55) ALDH1A1CYP1A2MEN1CASP1CASP7
SCHEMBL13972836 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2MEN1CASP1CASP7
SCHEMBL6114945 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2MEN1CASP1CASP7
SCHEMBL203509 0.81 HTT (0.58) ALDH1A1CYP1A2MEN1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4083031-B1 QUINOLINE COMPOUND AND APPLICATION THEREOF AS FGFR4 KINASE INHIBITOR SKYRUN PHARMA CO LTD (CN) 2026-04-22 EP disclosed
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 US disclosed
CN-119874615-A Preparation method of 7-ethylquinoline-8-amine 无锡捷化医药科技有限公司 2025-04-25 CN disclosed
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
US-20230303537-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
EP-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
US-20230200233-A1 COMPOSITION, ELECTRONIC COMPOMENT AND ELECTRONIC DEVICE CONTAINING THE COMPOSITION SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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 (7 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-20070082883-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP ALDH1A1 2558/4885CYP1A2 2593/4885CYP2A6 1711/4885
US-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA ALDH1A1 414/4885CYP1A2 2867/4885CYP2A6 2603/4885
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 ALDH1A1 86/4885CYP1A2 115/4885CYP2A6 569/4885
US-20230303537-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF NPM1, NFE2L2, MNS1 ALDH1A1 2635/4885CYP1A2 1184/4885CYP2A6 2821/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 ALDH1A1 2372/4885CYP1A2 453/4885CYP2A6 428/4885
US-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL ALDH1A1 623/4885CYP1A2 436/4885CYP2A6 334/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG ALDH1A1 920/4885CYP1A2 405/4885CYP2A6 655/4885

“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.