SCHEMBL1849545

SCHEMBL1849545

Clc1ccc(N2CCCCC2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 1.00
▸ BPTF Q12830 1/20 0.67
▸ LMNA P02545 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ CNR2 P34972 2/20 0.53
▸ KMT2A Q03164 2/20 0.51
▸ CHRNB2 P17787 2/20 0.51
▸ CHRNA4 P43681 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM4 P08173 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47

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
SCHEMBL421732 0.98 CYP1A2 (0.96) CYP1A2BPTFLMNAHTTCNR2
SCHEMBL29845748 0.98 CYP1A2 (0.96) CYP1A2BPTFLMNAHTTCNR2
SCHEMBL9990416 0.94 CYP1A2 (0.88) CYP1A2BPTFLMNAHTTCNR2
SCHEMBL14503215 0.87 CYP1A2 (0.75) CYP1A2BPTFLMNAHTTCNR2
SCHEMBL6360151 0.85 BPTF (0.80) CYP1A2BPTFLMNAHTTKMT2A
SCHEMBL6354020 0.84 BPTF (0.84) CYP1A2BPTFLMNAHTTKMT2A
SCHEMBL20929374 0.82 CYP1A2 (0.69) CYP1A2BPTFLMNAHTTCNR2
SCHEMBL5238778 0.82 BPTF (0.87) CYP1A2BPTFLMNAHTTKMT2A
SCHEMBL6352737 0.82 CYP1A2 (0.69) CYP1A2BPTFLMNAHTTKMT2A
SCHEMBL1770262 0.82 CYP1A2 (0.69) CYP1A2BPTFLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300465-B1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LTD (GB) 2019-04-17 — — EP disclosed
US-9303026-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2016-04-05 — — US disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 — — US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
US-8796244-B2 Imidazopyridine derivatives as inhibitors of receptor tyrosine kinases ASTEX THERAPEUTICS LTD (GB) 2014-08-05 — — US disclosed
US-20140179709-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-06-26 — — US disclosed
US-8759326-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 — — US disclosed
US-20140107103-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 — — US disclosed
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 — — US disclosed
US-8624025-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-01-07 — — US disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — US disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 — — EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 — — WO 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
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
CN-1037268-C Antipicornaviral pyridazinamines JANSSEM PHARMACEUTICA N V (BE) 1998-02-04 — — CN disclosed
CN-1052857-A The preparation method of the pyridazine amine that antipicornaviral is used JANSSEN PHARMACEUTICA NV (BE) 1991-07-10 — — 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 (8 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 CYP1A2 1855/4885BPTF 3155/4885LMNA 898/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885BPTF 4209/4885LMNA 1672/4885
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS Q6ZSR9, NQO2, RECQL CYP1A2 942/4885BPTF 2230/4885LMNA 3494/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885BPTF 4209/4885LMNA 1672/4885
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE12 CYP1A2 73/4885BPTF 2465/4885LMNA 4377/4885
US-20140107103-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES HRH2, HRH1, HRH4 CYP1A2 166/4885BPTF 2037/4885LMNA 4652/4885
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 CYP1A2 352/4885BPTF 3873/4885LMNA 178/4885
US-20140179709-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CYP1A2 2315/4885BPTF 2132/4885LMNA 1613/4885

“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.

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