SCHEMBL536974

SCHEMBL536974

[c]1nc(-c2ccccn2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
LMNA P02545 3/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
METAP1 P53582 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
DOHH Q9BU89 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48

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
SCHEMBL1199404 0.77 CYP19A1 (0.32) CYP19A1
Dipyridyl SCHEMBL29907716 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.75 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4877951 0.74 GRM5 (0.33) GRM5
Dipyridyl SCHEMBL10395611 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL8655605 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL497901 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL16026844 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 WO claimed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 US claimed
EP-3681499-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. Shaw Research, LLC (US) 2020-07-22 EP claimed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 WO claimed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP claimed
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-09-11 US claimed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP claimed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP claimed
CN-1322719-A MYT1 kinase inhibitor SMITHKLINE BEECHAM CORP (US) 2001-11-21 CN claimed
EP-0799056-A1 USE OF A TACHYKININ ANTAGONIST AND AN OPIOID ANALGESIC MERCK SHARP & DOHME LTD. (GB) 1997-10-08 EP claimed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US claimed
WO-1996020009-A1 USE OF A TACHYKININ ANTAGONIST AND AN OPIOID ANALGESIC MERCK SHARP & DOHME LIMITED (GB) 1996-07-04 WO claimed
EP-0318214-B1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORP (US) 1994-12-14 EP claimed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP claimed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS KDM4E 3372/4885LMNA 3593/4885CCR1 4236/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 KDM4E 2518/4885LMNA 834/4885CCR1 4409/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 KDM4E 3300/4885LMNA 1510/4885CCR1 554/4885

“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.