Sugi Predict

Sugi Predict / Compounds / SCHEMBL180653

SCHEMBL180653

SCHEMBL180653

[c]1n[nH]c(-c2ccccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.49
▸ RAB9A P51151 8/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ L3MBTL1 Q9Y468 5/20 0.49
▸ PKM P14618 4/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ ALPL P05186 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ BTK Q06187 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.48
▸ LMNA P02545 6/20 0.48
▸ METAP1 P53582 5/20 0.48
▸ CCR1 P32246 2/20 0.48
▸ CCR5 P51681 2/20 0.48
▸ CCR8 P51685 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48

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
SCHEMBL4043825 0.76 TGFBR1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL4044205 0.74 RAB9A (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1HSD17B10
SCHEMBL4048180 0.74 TGFBR1 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2POLB
Dipyridyl SCHEMBL29907716 0.68 KDM4E (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
Dipyridyl SCHEMBL5922 0.68 KDM4E (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
Dipyridyl SCHEMBL29351528 0.68 KDM4E (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
Dipyridyl SCHEMBL3711450 0.68 KDM4E (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
SCHEMBL30989133 0.67 KDM4E (0.72) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
Dipyridyl SCHEMBL4577373 0.66 KDM4E (0.93) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
Dipyridyl SCHEMBL8655605 0.66 KDM4E (0.93) NPC1RAB9ASMN1; SMN2L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552441-B1 USES OF DGAT1 INHIBITORS NOVARTIS AG (CH) 2016-05-04 — — EP claimed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 — — US claimed
EP-2552441-A1 USES OF DGAT1 INHIBITORS Novartis AG (CH) 2013-02-06 — — EP claimed
US-20130023495-A1 USES OF DGAT1 INHIBITORS NOVARTIS AG (CH) 2013-01-24 — — US claimed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 — — US claimed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 — — EP claimed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 — — EP claimed
WO-2011123401-A1 USES OF DGAT1 INHIBITORS NOVARTIS AG (CH) 2011-10-06 — — WO claimed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 — — EP claimed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US claimed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 — — US claimed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 — — WO claimed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 — — EP claimed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 — — WO claimed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 — — US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 — — US disclosed
EP-2552441-B1 USES OF DGAT1 INHIBITORS NOVARTIS AG (CH) 2016-05-04 — — EP disclosed
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-05-28 — — US disclosed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 — — EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 — — 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-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 NPC1 17/4885RAB9A 1146/4885SMN1; SMN2 1511/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 NPC1 17/4885RAB9A 1146/4885SMN1; SMN2 1511/4885
US-20130023495-A1 USES OF DGAT1 INHIBITORS DGAT1, DGAT2, LCAT NPC1 26/4885RAB9A 1099/4885SMN1; SMN2 3874/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 NPC1 1507/4885RAB9A 1596/4885SMN1; SMN2 1641/4885
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests PRXL2A, C5, CBR3 NPC1 2136/4885RAB9A 1239/4885SMN1; SMN2 2640/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA NPC1 208/4885RAB9A 2167/4885SMN1; SMN2 3099/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 NPC1 16/4885RAB9A 1089/4885SMN1; SMN2 1476/4885

“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.