SCHEMBL958907

SCHEMBL958907

O=Cc1cccc(-c2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.57
CYP2A6 P11509 3/20 0.56
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
MEN1 O00255 1/20 0.55
PSIP1 O75475 1/20 0.55
AXL P30530 1/20 0.55
TTK P33981 1/20 0.54
KMO O15229 1/20 0.53
CYP2E1 P05181 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
TRIM24 O15164 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49

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
SCHEMBL29569162 1.00 ERN1 (0.57) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL844773 0.85 CYP2A6 (0.56) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL8348566 0.83 ERN1 (0.50) ERN1CYP2A6ALDH1A1AXLTTK
SCHEMBL6655801 0.83 MKNK1 (0.49) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL6655803 0.83 MKNK1 (0.49) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL346974 0.82 TRIM24 (0.64) CYP2A6ALDH1A1AXLTRIM24TRIM33
SCHEMBL11445821 0.81 CYP2A6 (0.56) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL29534997 0.81 TRIM24 (0.56) ERN1CYP3A4ALDH1A1AXLCYP11B1
SCHEMBL6172 0.81 CYP2A6 (0.60) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL30088429 0.81 CYP2A6 (0.60) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US claimed
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 CN claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 CN claimed
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 CN disclosed
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 US disclosed
US-20210101879-A1 AMYLOID PROTEIN-SELECTIVE BACE INHIBITORS (ASBIs) FOR ALZHEIMER?S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-04-08 US disclosed
WO-1999037647-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
US-5514693-A THROMBOXANE A2 SYNTHETASE INHIBITOR, CALCIUM ANTAGONIST FARMITALIA CARLO ERBA S.R.L. (IT) 1996-05-07 US disclosed
EP-0373645-B1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA SPA (IT) 1995-04-19 EP disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0403627-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-27 EP disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed
WO-1990006923-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-06-28 WO disclosed
EP-0373645-A1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA S.p.A. (IT) 1990-06-20 EP disclosed
CN-1042910-A The allylamine derivatives that replaces, their production method and application thereof BANYU PHARMA CO LTD (JP) 1990-06-13 CN 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 (6 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 ERN1 4004/4885CYP2A6 3291/4885CYP3A4 2640/4885
US-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 ERN1 2222/4885CYP2A6 4166/4885CYP3A4 4575/4885
US-20210101879-A1 AMYLOID PROTEIN-SELECTIVE BACE INHIBITORS (ASBIs) FOR ALZHEIMER?S DISEASE APP, BACE1, BACE2 ERN1 2243/4885CYP2A6 2605/4885CYP3A4 2111/4885
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, ABCC1, UGT2B7 ERN1 3505/4885CYP2A6 28/4885CYP3A4 11/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 ERN1 2222/4885CYP2A6 4166/4885CYP3A4 4575/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 ERN1 2222/4885CYP2A6 4166/4885CYP3A4 4575/4885

“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.