SCHEMBL1663828

SCHEMBL1663828

Oc1ccc2nncc(Cl)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
ESRRB O95718 1/20 0.49
ESRRA P11474 1/20 0.49
TTR P02766 2/20 0.44
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PIK3CD O00329 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PARP1 P09874 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL6099341 0.85 HSD17B10 (0.40) ESR1ESR2ESRRBESRRATTR
SCHEMBL30950666 0.80 SMN1; SMN2 (0.43) CNR1CNR2PIK3CDPARP1ALDH1A1
SCHEMBL6096600 0.80 SMN1; SMN2 (0.43) CNR1CNR2PIK3CDPARP1ALDH1A1
SCHEMBL30950664 0.77 NT5E (0.49) PIK3CDCYP3A4KDM4EALDH1A1ACHE
SCHEMBL4297621 0.77 NT5E (0.49) PIK3CDCYP3A4KDM4EALDH1A1ACHE
SCHEMBL2717940 0.77 PIK3CD (0.40) PIK3CDPARP1CYP11B1CYP11B2KDM4E
SCHEMBL29665280 0.77 NT5E (0.49) PIK3CDCYP3A4KDM4EALDH1A1ACHE
SCHEMBL11196149 0.74 KDM4E (0.46) ESR1ESR2ESRRBESRRATTR
SCHEMBL9998065 0.73 CNR1 (0.46) CNR1PIK3CDKDM4EBACE1
SCHEMBL1663396 0.73 CNR1 (0.43) HSD17B10CNR1CNR2PIK3CDCYP17A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303026-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2016-04-05 US disclosed
US-20140179709-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-06-26 US disclosed
US-8624025-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-01-07 US disclosed
US-20130005736-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-01-03 US disclosed
US-8217171-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2012-07-10 US disclosed
US-20110212966-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-09-01 US disclosed
US-7951955-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-05-31 US disclosed
EP-2314582-A1 Heterocyclic compounds as antiviral agents Biota Scientific Management Pty Ltd (AU) 2011-04-27 EP disclosed
US-7829705-B2 such as 7-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-4-ethoxy-cinnoline, used in the treatment of picornavirus infections in humans BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2010-11-09 US disclosed
US-7579465-B2 For treatment of picornavirus infections in mammals BIOTA SCIENTIFIC MANAGMENT PTY. LTD. (AU) 2009-08-25 US disclosed
US-20090030000-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2009-01-29 US disclosed
US-20070149531-A1 such as 7-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-4-ethoxy-cinnoline, used in the treatment of picornavirus infections in humans BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-20070149530-A1 For treatment of picornavirus infections in mammals BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-7166604-B2 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-01-23 US disclosed
EP-1353911-A4 ANTIVIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2005-01-05 EP disclosed
US-20040077633-A1 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2004-04-22 US disclosed
EP-1353911-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2003-10-22 EP disclosed
WO-2002050045-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2002-06-27 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-20070149530-A1 For treatment of picornavirus infections in mammals HAVCR2, EIF2AK2, MAVS ESR1 4788/4885ESR2 4226/4885ESRRB 4312/4885
US-20090030000-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ESR1 4794/4885ESR2 4498/4885ESRRB 4767/4885
US-20130005736-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ESR1 4794/4885ESR2 4498/4885ESRRB 4767/4885
US-20110212966-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ESR1 4794/4885ESR2 4498/4885ESRRB 4767/4885
US-20070149531-A1 such as 7-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-4-ethoxy-cinnoline, used in the treatment of picornavirus infections in humans EIF2AK2, IFNAR1, HAVCR2 ESR1 3778/4885ESR2 3767/4885ESRRB 4550/4885
US-20140179709-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ESR1 4794/4885ESR2 4498/4885ESRRB 4767/4885
US-20040077633-A1 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus RNASEH1, RPL35, SARS1 ESR1 4737/4885ESR2 4450/4885ESRRB 4489/4885

“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.