SCHEMBL1093154

SCHEMBL1093154

c1ccc(-n2nc3ccccc3c2NC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.55
ADORA2A P29274 7/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.55
ADORA1 P30542 2/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE5A O76074 1/20 0.47
ACP1 P24666 1/20 0.47
OGG1 O15527 1/20 0.47
ELANE P08246 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL1093851 0.89 ADORA3 (0.57) ADORA3ADORA2AL3MBTL1HTTADORA1
SCHEMBL1093673 0.85 ADORA3 (0.53) ADORA3ADORA2AL3MBTL1HTTADORA1
SCHEMBL1093235 0.77 ADORA3 (0.45) ADORA3ADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL1093307 0.75 L3MBTL1 (0.49) ADORA3ADORA2AL3MBTL1HTTADORA1
SCHEMBL2170493 0.75 MEN1 (0.43) ADORA3ADORA2AHTTKDM4ELMNA
SCHEMBL29042737 0.75 NPC1 (0.47) ADORA3ADORA2AL3MBTL1HTTNPC1
SCHEMBL2170815 0.72 EPHX1 (0.53) ADORA3HTTNPC1RAB9ALMNA
SCHEMBL1093380 0.72 TP53 (0.42) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL2346833 0.71 TSHR (0.46) ADORA3ADORA2AHTTKDM4ERAB9A
SCHEMBL1093355 0.70 ADORA3 (0.44) ADORA3ADORA2AADORA1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102164899-B Substituted indazoles or tetrahydroindazoles as FXR modulators against dyslipidemia and related diseases HOFFMANN LA ROCHE 2014-11-26 CN disclosed
EP-2344459-B1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES HOFFMANN LA ROCHE (CH) 2013-12-25 EP disclosed
EP-2346834-B1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8153663-B2 3-amino-indazole or 3-amino-4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-8008505-B2 Indazole or 4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
CN-102164899-A 2, 3-substituted indazoles or 4,5,6, 7-tetrahydro-indazoles as FXR modulators against dyslipidemia and related diseases HOFFMANN LA ROCHE 2011-08-24 CN disclosed
CN-102164900-A 3-amino-indazole or 3-amino-4,5,6,7-tetrahydro-indazole derivatives HOFFMANN LA ROCHE 2011-08-24 CN disclosed
EP-2346834-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
EP-2344459-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. Hoffmann-La Roche AG (CH) 2011-07-20 EP disclosed
WO-2010034657-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
WO-2010034649-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100076026-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-03-25 US 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-20100076026-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, SLC10A2, SLC10A1 ADORA3 11/4885ADORA2A 380/4885L3MBTL1 4388/4885
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, ABCB11, FXR1 ADORA3 35/4885ADORA2A 501/4885L3MBTL1 3793/4885

“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.