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SCHEMBL551592

SCHEMBL551592

CN(C)Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ LPL P06858 9/20 0.38
▸ LIPG Q9Y5X9 9/20 0.38
▸ F11 P03951 1/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ SNCA P37840 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL3796751 0.91 CHRNB2 (0.37) CHRNB2CHRNA4LPLLIPGF11
SCHEMBL3801908 0.83 HRH3 (0.45) CHRNB2CHRNA4LPLLIPGF11
SCHEMBL2428673 0.82 LIPG (0.45) LPLLIPGF11FFAR1DGAT1
SCHEMBL2026626 0.81 F11 (0.42) LPLLIPGF11FFAR1DGAT1
SCHEMBL2425029 0.81 LIPG (0.40) LPLLIPGF11FFAR1DGAT1
SCHEMBL3801108 0.80 LIPG (0.45) CHRNB2CHRNA4LPLLIPGDGAT1
SCHEMBL17048093 0.79 LIPG (0.58) LPLLIPGF11FFAR1DGAT1
SCHEMBL12373176 0.79 LPL (0.44) LPLLIPGF11FFAR1CA1
SCHEMBL3792923 0.79 DGAT1 (0.42) CHRNB2CHRNA4LPLLIPGF11
SCHEMBL3645868 0.78 LIPG (0.38) LPLLIPGF11FFAR1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC 2019-09-12 — — US disclosed
US-10329309-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-06-25 — — US disclosed
US-20180222923-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B] PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-08-09 — — US disclosed
US-20180222923-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B] PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-08-09 — — US disclosed
WO-2018067762-A2 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2018-04-12 — — WO disclosed
EP-2953944-B1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-26 — — EP disclosed
US-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
US-9567320-B2 Pyridazinone-amides derivatives MERCK PATENT GMBH (DE) 2017-02-14 — — US disclosed
WO-2017024015-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2015-12-31 — — US disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 — — US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 — — US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 — — US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 — — EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 — — WO disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 — — US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 — — EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 — — 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 (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-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 CHRNB2 4031/4885CHRNA4 3008/4885LPL 4247/4885
US-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA CHRNB2 781/4885CHRNA4 1670/4885LPL 4845/4885
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 CHRNB2 4031/4885CHRNA4 3008/4885LPL 4247/4885
US-10329309-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A CHRNB2 3168/4885CHRNA4 2428/4885LPL 4441/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA CHRNB2 781/4885CHRNA4 1670/4885LPL 4845/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CHRNB2 3774/4885CHRNA4 961/4885LPL 2217/4885
US-20180222923-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B] PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 CHRNB2 3040/4885CHRNA4 2369/4885LPL 4589/4885
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS FNTB, CYP2F1, SDHB CHRNB2 4243/4885CHRNA4 4603/4885LPL 1970/4885

“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.