SCHEMBL407298

SCHEMBL407298

c1ccc(-c2nc3c(s2)CNCC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 9/20 0.54
CD274 Q9NZQ7 9/20 0.54
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
APEX1 P27695 1/20 0.40
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 1/20 0.39

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
Bromide SCHEMBL439705 0.98 PDCD1 (0.53) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL12491614 0.87 PDCD1 (0.69) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL12340037 0.86 PDCD1 (0.52) PDCD1CD274NPC1RAB9ATLR9
SCHEMBL3156931 0.84 PDCD1 (0.54) PDCD1CD274TLR9TLR8TLR7
SCHEMBL327547 0.84 PDCD1 (0.48) PDCD1CD274NPC1RAB9ATLR9
SCHEMBL15933625 0.84 PDCD1 (0.48) PDCD1CD274TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL3441450 0.84 PDCD1 (0.51) PDCD1CD274NPC1RAB9ATLR9
SCHEMBL15933483 0.84 PDCD1 (0.48) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL15933482 0.84 PDCD1 (0.54) PDCD1CD274TLR9TLR8TLR7
SCHEMBL12491914 0.84 PDCD1 (0.51) PDCD1CD274NPC1RAB9ATLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
EP-2513108-B1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-04-01 EP disclosed
US-8957211-B2 (Heterocycle/condensed piperidine)-(piperazinyl)-1-alkanone or (heterocycle/condensed pyrrolidine)-(piperazinyl)-1-alkanone derivatives and use thereof as p75 inhibitors SANOFI (FR) 2015-02-17 US disclosed
WO-2014117318-A1 NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2014-08-07 WO disclosed
US-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2014-02-06 US disclosed
US-8580790-B2 (Heterocycle/condensed piperidine)-(piperazinyl)-1-alkanone or (heterocycle/condensed pyrrolidine)-(piperazinyl)-1-alkanone derivatives and use thereof as p75 inhibitors SANOFI (FR) 2013-11-12 US disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
EP-2513108-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI (FR) 2012-10-24 EP disclosed
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
WO-2011080444-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 WO disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
US-6933306-B2 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LTD. (GB) 2005-08-23 US disclosed
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-05-15 US disclosed
EP-1292576-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-19 EP disclosed
US-6506773-B2 For therapy of cancer; inflammation; an autoimmune, infectious or ocular disease; or age-related macular degeneration DARWIN DISCOVERY LTD. (GB) 2003-01-14 US disclosed
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-02-21 US disclosed
WO-2001087844-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA PDCD1 2252/4885CD274 2710/4885NPC1 2179/4885
US-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK3, NGF PDCD1 332/4885CD274 233/4885NPC1 1601/4885
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives UACA, HCAR2, HCAR1 PDCD1 461/4885CD274 308/4885NPC1 3532/4885
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK3, NGF PDCD1 335/4885CD274 241/4885NPC1 1733/4885
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, HCAR3 PDCD1 4635/4885CD274 3679/4885NPC1 2740/4885

“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.