SCHEMBL1664490

SCHEMBL1664490

CCOc1ncnc2cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RET P07949 3/20 0.42
KDR P35968 3/20 0.42
KIF5B P33176 2/20 0.42
MAPT P10636 5/20 0.41
GAA P10253 1/20 0.41
EGFR P00533 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CAMKK1 Q8N5S9 2/20 0.38

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
SCHEMBL13763743 0.79 TRPA1 (0.57) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2631723 0.75 RAB9A (0.73) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8271641 0.73 GRM4 (0.45) CYP1A2CYP2C9LMNATSHRMEN1
SCHEMBL5453911 0.72 EGFR (0.46) RETKDRKIF5BMAPTEGFR
SCHEMBL14595786 0.71 IRAK4 (0.48) RAB9ACYP1A2CYP2C9CYP2C19KDR
SCHEMBL2621728 0.70 RAB9A (0.47) RAB9ACYP1A2CYP2C9CYP2C19KDR
SCHEMBL3865271 0.70 HTT (0.56) RAB9ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4431055 0.69 MAP4K4 (0.54) EGFR
SCHEMBL20813449 0.69 EGFR (0.44) RETKDRKIF5BMAPTEGFR
SCHEMBL5465224 0.69 PDE4A (0.53) RETKDRKIF5BMAPTGAA

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 RAB9A 3316/4885CYP1A2 1855/4885CYP2C9 2556/4885
US-20090030000-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 RAB9A 2149/4885CYP1A2 2315/4885CYP2C9 2381/4885
US-20130005736-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 RAB9A 2149/4885CYP1A2 2315/4885CYP2C9 2381/4885
US-20110212966-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 RAB9A 2149/4885CYP1A2 2315/4885CYP2C9 2381/4885
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 RAB9A 1862/4885CYP1A2 352/4885CYP2C9 540/4885
US-20140179709-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 RAB9A 2149/4885CYP1A2 2315/4885CYP2C9 2381/4885
US-20040077633-A1 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus RNASEH1, RPL35, SARS1 RAB9A 848/4885CYP1A2 435/4885CYP2C9 569/4885

“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.