SCHEMBL1832864

SCHEMBL1832864

[c]1nccc(-c2ccncc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
AR P10275 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
IDO1 P14902 1/20 0.38
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 6/20 0.33
NISCH Q9Y2I1 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33
KMT2A Q03164 1/20 0.33
DYRK1A Q13627 1/20 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
SCHEMBL3597375 0.78 RAB9A (0.41) MAPTRAB9ANPC1ARKDM4E
SCHEMBL12004479 0.78 HCAR2 (0.33) LOXL2
SCHEMBL990825 0.78 CYP2A6 (0.39) CYP1A2CYP3A4
SCHEMBL990826 0.77
SCHEMBL501228 0.75 CYP2A6 (0.39) NPC1ARCYP3A4CYP2C9CYP2C19
SCHEMBL989535 0.75 CYP2A6 (0.52) LMNAMAPTRAB9ANPC1CYP1A2
SCHEMBL9594088 0.74 HSP90AA1 (0.37) MAPTCYP3A4CYP2D6GSK3B
SCHEMBL6460701 0.71 NISCH (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8632924 0.71 MAOA (0.35) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17626014 0.70 KMO (0.49) LMNAMAPTRAB9ANPC1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008296-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-08-30 US claimed
EP-2322506-A1 Histamine H3 receptor agents, preparation and therapeutic uses Eli Lilly and Company (US) 2011-05-18 EP claimed
US-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-06-24 US claimed
US-7666871-B2 3-Methyl-6-(4-{5-methyl-4-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-oxazol-2-yl}-phenyl)-pyridazine; for treatment of obesity, cognitive deficiencies, narcolepsy ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
CN-100513386-C Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils DOMP S P A (IT) 2009-07-15 CN claimed
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP claimed
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP claimed
EP-1904442-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-04-02 EP claimed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US claimed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP claimed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US claimed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 WO claimed
WO-2007005503-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-01-11 WO claimed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO claimed
WO-2004022567-A1 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 WO claimed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 US disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
CN-1182425-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH AS (DK) 1998-05-20 CN 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 (4 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-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses HCRTR1, HRH3, HCRTR2 LMNA 4551/4885MAPT 1649/4885RAB9A 1983/4885
US-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 LMNA 2103/4885MAPT 4311/4885RAB9A 2344/4885
US-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 LMNA 4368/4885MAPT 825/4885RAB9A 1469/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 LMNA 70/4885MAPT 4835/4885RAB9A 3098/4885

“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.