SCHEMBL2829791

SCHEMBL2829791

CCOC(=O)c1csc(CN)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.65
NPC1 O15118 7/20 0.65
MAPT P10636 6/20 0.65
ALDH1A1 P00352 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HSP90AA1 P07900 3/20 0.59
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 3/20 0.52
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MMP1 P03956 1/20 0.48
MMP13 P45452 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL5670009 0.88 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1246735 0.87 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL18764850 0.86 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL14844418 0.86 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2838513 0.85 RAB9A (0.62) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2838509 0.85 RAB9A (0.62) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL5010514 0.84 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL15359481 0.84 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1513053 0.84 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL348057 0.84 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018132326-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-07-19 WO disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7452862-B2 Conformationally-controlled biologically active macrocyclic small molecules as motilin antagonists or ghrelin agonists TRANZYME PHARMA, INC. (CA) 2008-11-18 US disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed
EP-0669336-B1 NOVEL CEPHEM DERIVATIVES MEIJI SEIKA CO (JP) 2000-05-17 EP disclosed
US-5663162-A BACTERICIDES AND ANTIBIOTICS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
EP-0669336-A1 NOVEL CEPHEM DERIVATIVE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-08-30 EP 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 (2 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 RAB9A 3231/4885NPC1 2568/4885MAPT 3444/4885
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD RAB9A 4731/4885NPC1 2548/4885MAPT 4676/4885

“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.