SCHEMBL1663179

SCHEMBL1663179

O=c1[nH]cnc2cc(O)ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.74
CHEK1 O14757 2/20 0.64
PIM1 P11309 2/20 0.64
ALDH1A1 P00352 1/20 0.64
RPS6KA3 P51812 1/20 0.64
PDPK1 O15530 1/20 0.56
CA12 O43570 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA9 Q16790 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
KDM4A O75164 1/20 0.51
KDM4B O94953 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50
PIM3 Q86V86 1/20 0.50

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
SCHEMBL29873118 1.00 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL642178 0.85 PARP1 (1.00) PARP1CHEK1PIM1PDPK1CA12
SCHEMBL1690531 0.78 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29967230 0.78 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29967106 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL391295 0.78 PIM1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL24819 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL643424 0.78 ALDH1A1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL144026 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29898482 0.78 ALDH1A1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3

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 19 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
EP-1309569-B1 N-aryl-{4-[7-(alkoxy)quinazolin-4-yl]piperazinyl}carboxamide derivatives as PDGFRs inhibitors MILLENNIUM PHARM INC (US) 2010-10-06 EP 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 PARP1 3874/4885CHEK1 4747/4885PIM1 4580/4885
US-20090030000-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PARP1 2158/4885CHEK1 2667/4885PIM1 2800/4885
US-20130005736-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PARP1 2158/4885CHEK1 2667/4885PIM1 2800/4885
US-20110212966-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PARP1 2158/4885CHEK1 2667/4885PIM1 2800/4885
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 PARP1 1103/4885CHEK1 2256/4885PIM1 4642/4885
US-20140179709-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PARP1 2158/4885CHEK1 2667/4885PIM1 2800/4885
US-20040077633-A1 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus RNASEH1, RPL35, SARS1 PARP1 1850/4885CHEK1 4659/4885PIM1 4301/4885

“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.