SCHEMBL4489425

SCHEMBL4489425

Fc1cc(Cl)c2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.52
TNF P01375 1/20 0.48
RIPK1 Q13546 1/20 0.48
GPR84 Q9NQS5 1/20 0.39
CSNK2A1 P68400 1/20 0.38
AR P10275 1/20 0.38
CMA1 P23946 1/20 0.38
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
NR4A2 P43354 1/20 0.38
IDO1 P14902 1/20 0.37
GRM2 Q14416 2/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
IKBKB O14920 3/20 0.36
CHUK O15111 2/20 0.36
JAK2 O60674 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL838245 0.80 AHR (0.54) AHRTNFRIPK1CSNK2A1CMA1
SCHEMBL2537652 0.77 AHR (0.50) AHRTNFRIPK1GPR84AR
SCHEMBL860074 0.77 AHR (0.50) AHRTNFRIPK1CSNK2A1AR
SCHEMBL312307 0.77 AHR (0.50) AHRTNFRIPK1CSNK2A1CMA1
SCHEMBL17064186 0.77 AHR (0.50) AHRTNFRIPK1CSNK2A1CMA1
SCHEMBL564695 0.77 AHR (0.50) AHRTNFRIPK1CSNK2A1CMA1
SCHEMBL29991075 0.77 TNF (0.47) AHRTNFRIPK1GPR84CSNK2A1
SCHEMBL18299868 0.76 AHR (0.46) AHRTNFRIPK1CSNK2A1CMA1
SCHEMBL23658432 0.74 AHR (0.47) AHRTNFRIPK1GPR84NR3C1
SCHEMBL1137858 0.74 AHR (0.47) AHRTNFRIPK1GPR84CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS PARDES BIOSCIENCES INC (US) 2026-04-30 US disclosed
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2024-11-19 US disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2024-08-15 US disclosed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 CN disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
CN-1802357-A 2-aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2006-07-12 CN disclosed
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US disclosed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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 (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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK AHR 3839/4885TNF 6/4885RIPK1 577/4885
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS CTRC, CTRL, CTSL AHR 3356/4885TNF 4753/4885RIPK1 2397/4885
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL AHR 4170/4885TNF 4580/4885RIPK1 1042/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 AHR 4325/4885TNF 4872/4885RIPK1 3261/4885
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL AHR 4170/4885TNF 4580/4885RIPK1 1042/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV AHR 4353/4885TNF 4670/4885RIPK1 2050/4885

“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.