SCHEMBL3760158

SCHEMBL3760158

N#Cc1cccc(CN)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.49
SOS2 Q07890 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CTSK P43235 1/20 0.38
CTSS P25774 1/20 0.37
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ADORA2A P29274 2/20 0.32

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
Hydrochloric Acid SCHEMBL9296794 0.98 IRAK4 (0.48) IRAK4SOS2LOXL2CTSKCTSS
SCHEMBL27835923 0.84 HRH1 (0.42) IRAK4SOS2CTSKCTSSALOX5AP
SCHEMBL29561378 0.79 SOS2 (0.39) IRAK4SOS2CTSKCTSSALOX5AP
SCHEMBL29413281 0.79 CCR1 (0.40) IRAK4SOS2CTSKCTSSALOX5AP
SCHEMBL17771959 0.79 SOS2 (0.39) IRAK4SOS2CTSKCTSSALOX5AP
SCHEMBL1758823 0.79 SOS2 (0.43) SOS2CTSKCTSSPRMT5WDR77
SCHEMBL378968 0.79 CCR1 (0.40) IRAK4SOS2CTSKCTSSALOX5AP
SCHEMBL9297038 0.79 SOS2 (0.39) IRAK4SOS2CTSKCTSSALOX5AP
SCHEMBL14732983 0.79 KCNH2 (0.44) IRAK4SOS2CTSKCTSS
SCHEMBL129485 0.79 SOS2 (0.39) IRAK4SOS2CTSKCTSSALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452944-A1 CYCLOPROPYL COMPOUNDS Icagen, LLC (US) 2024-10-30 EP disclosed
US-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2024-10-10 US disclosed
WO-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 WO disclosed
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-09-22 US disclosed
US-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 US disclosed
CN-113924095-A Heterocyclic compounds as adenosine antagonists 诺维逊生物股份有限公司 2022-01-11 CN disclosed
EP-3911323-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2021-11-24 EP disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 WO disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
US-20100029731-A1 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-04 US disclosed
WO-2010009334-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-01-21 WO disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed
EP-0575614-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-29 EP disclosed
WO-1992016526-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-01 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 (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-20100029731-A1 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN IRAK4 1887/4885SOS2 2502/4885LOXL2 1161/4885
US-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 IRAK4 1566/4885SOS2 1290/4885LOXL2 3535/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 IRAK4 1632/4885SOS2 1828/4885LOXL2 3746/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE IRAK4 2804/4885SOS2 3024/4885LOXL2 4392/4885
US-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR1 IRAK4 2416/4885SOS2 3649/4885LOXL2 4525/4885
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 IRAK4 1566/4885SOS2 1290/4885LOXL2 3535/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 IRAK4 658/4885SOS2 3498/4885LOXL2 3144/4885

“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.