SCHEMBL1720463

SCHEMBL1720463

NCc1ccc(-c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 1.00
MKNK1 Q9BUB5 4/20 0.67
MKNK2 Q9HBH9 4/20 0.67
CYP3A4 P08684 4/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
TAAR1 Q96RJ0 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
MEN1 O00255 1/20 0.53
PSIP1 O75475 1/20 0.53
AXL P30530 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ADRB2 P07550 1/20 0.52
KIF11 P52732 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP2D6 P10635 3/20 0.51

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
SCHEMBL30083377 1.00 CYP2A6 (1.00) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL10066463 0.85 CYP2A6 (0.73) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL3780918 0.85 CYP2A6 (0.73) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL29809603 0.85 CYP2A6 (0.73) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL17306393 0.83 CYP2A6 (0.70) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL24534338 0.82 CYP2A6 (0.88) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL29360677 0.82 CYP2A6 (0.88) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL13907273 0.82 CYP2A6 (0.88) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL11577671 0.82 CYP2A6 (0.88) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1
SCHEMBL4966893 0.82 CYP2A6 (0.69) CYP2A6MKNK1MKNK2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163032-A1 NOVEL MOLECULES AS INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. 2025-05-22 US disclosed
WO-2025102016-A1 NOVEL MOLECULES AS INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-05-15 WO disclosed
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-11-21 US disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed
WO-2019055657-A1 BAF COMPLEX MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-21 WO disclosed
CN-103930112-B Predict the biomarker of the response to alpha 7 nicotinic acetylcholine receptors activation agent therapy 诺华股份有限公司 2018-11-09 CN disclosed
CN-105294776-B A kind of preparation method of the symmetrical dimer of nitrogen heterocyclic ring aromatic compound 兰州大学 2018-06-15 CN disclosed
CN-107602552-A Salts of aza-bicyclic diaryl ethers and methods of making them or their precursors 诺华股份有限公司 2018-01-19 CN disclosed
CN-103717596-B Salts of aza-bicyclic diaryl ethers and methods of making them or their precursors 诺华股份有限公司 2017-11-21 CN disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed
WO-2006047167-A2 9 ALKYL AND 9 ALKYLIDENYL 6-0 ALKYL-11, 12 CARBAMATE KETOLIDE ANTIMICROBIALS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
WO-2005066162-A1 SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2005-07-21 WO disclosed
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO 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 (5 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-20250163032-A1 NOVEL MOLECULES AS INHIBITORS OF DNA DAMAGE REPAIR PATHWAY ERCC2, DDB1, UNG CYP2A6 3451/4885MKNK1 661/4885MKNK2 794/4885
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN CYP2A6 440/4885MKNK1 3334/4885MKNK2 3431/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CYP2A6 492/4885MKNK1 4176/4885MKNK2 4225/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 CYP2A6 48/4885MKNK1 4495/4885MKNK2 4549/4885
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK3, CDK1, CDK2 CYP2A6 3209/4885MKNK1 115/4885MKNK2 117/4885

“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.