SCHEMBL5050

SCHEMBL5050

Brc1cncc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
ATM Q13315 1/20 0.50
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
CHRNA7 P36544 1/20 0.44
PTK2 Q05397 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 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
SCHEMBL12576029 0.86 CYP2A6 (0.55) CYP2A6ALOX15HTTCYP11B1CYP11B2
SCHEMBL14392676 0.85 CYP2A6 (0.61) CYP2A6ALOX15HTTCYP11B1CYP11B2
SCHEMBL16675071 0.84 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2GABRA1GABRG2
SCHEMBL18253593 0.84 CYP11B2 (0.48) CYP2A6ALOX15HTTALDH1A1CYP11B2
SCHEMBL5851006 0.83 XDH (0.47) CYP2A6ALOX15HTTCYP11B1CYP11B2
SCHEMBL722248 0.83 ATM (0.62) CYP2A6ATMALDH1A1CYP11B1CYP11B2
SCHEMBL21692173 0.83 ATM (0.62) CYP2A6ATMALDH1A1CYP11B1CYP11B2
SCHEMBL30335566 0.83 CYP2A6 (0.62) CYP2A6ALOX15HTTALDH1A1CYP11B1
SCHEMBL4270686 0.83 CYP2A6 (0.62) CYP2A6ALOX15HTTALDH1A1CYP11B1
SCHEMBL5115735 0.82 CYP2A6 (0.60) CYP2A6HTTALDH1A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor NIPPON SHINYAKU CO., LTD. (JP) 2025-12-30 US disclosed
US-12486232-B2 Method for preparing meta-functionalized pyridine compound NANKAI UNIVERSITY (CN) 2025-12-02 US disclosed
US-20250257035-A1 1,4-Substituted Piperidine Derivatives CEPHALON LLC 2025-08-14 US disclosed
US-20250179021-A1 Method For Preparing Meta-Functionalized Pyridine Compound CNBM RESEARCH INSTITUTE FOR ADVANCED GLASS MATERIALS GROUP CO., LTD. (CN) 2025-06-05 US disclosed
US-20250160203-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-05-15 US disclosed
US-12295260-B2 Organic compound, light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-05-06 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
EP-4516777-A2 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR Nippon Shinyaku Co., Ltd. (JP) 2025-03-05 EP disclosed
CN-119371371-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2025-01-28 CN disclosed
EP-0970083-A1 7a-HETEROCYCLE-SUBSTITUTED HEXAHYDRO-1H-PYRROLIZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-01-12 EP disclosed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 WO disclosed
US-5861423-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER*S AND PARKINSON*S DISEASE; ATTENTION DEFICIT DISORDER, SCHIZOPHRENIA TARGACEPT, INC., A CORPORATION OF DELAWARE 1999-01-19 US disclosed
WO-1998054182-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO disclosed
US-5811442-A ADMINISTERING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUND IN AN AMOUNT SUFFICIENT TO SELECTIVELY BIND TO AND AFFECT NICOTINIC CHOLINERGIC RECEPTOR SUBTYPES CONTAINING BETA2 SUBUNITS TARGACEPT, INC. 1998-09-22 US disclosed
WO-1998037071-A1 PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS R.J. REYNOLDS TOBACCO COMPANY (US) 1998-08-27 WO disclosed
WO-1998037082-A1 7a-HETEROCYCLE-SUBSTITUTED HEXAHYDRO-1H-PYRROLIZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1998-08-27 WO disclosed
US-5733912-A NERVOUS SYSTEM DISORDERS IN NERVE CELLS ABBOTT LABORATORIES (US) 1998-03-31 US disclosed
US-5409920-A 2-(3-pyridyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1995-04-25 US disclosed
EP-0479574-A2 2-(3-pyridyl)-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-08 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-20250257035-A1 1,4-Substituted Piperidine Derivatives FASN, CES1, CPT1A CYP2A6 234/4885ATM 4593/4885ALOX15 116/4885
US-12295260-B2 Organic compound, light-emitting device, light-emitting apparatus, electronic device, and lighting device NQO1, CYP1A1, CYBA CYP2A6 351/4885ATM 1358/4885ALOX15 493/4885
US-20250160203-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device NQO1, CYP1A1, CYBA CYP2A6 351/4885ATM 1358/4885ALOX15 493/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CYP2A6 1570/4885ATM 4553/4885ALOX15 3301/4885
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor PDGFRA, PDGFRB, PDGFA CYP2A6 3817/4885ATM 2395/4885ALOX15 1636/4885
US-12486232-B2 Method for preparing meta-functionalized pyridine compound GAPVD1, SKP1, PDXK CYP2A6 719/4885ATM 2685/4885ALOX15 4345/4885
US-20250179021-A1 Method For Preparing Meta-Functionalized Pyridine Compound GAPVD1, SKP1, PDXK CYP2A6 719/4885ATM 2685/4885ALOX15 4345/4885

“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.