SCHEMBL6653634

SCHEMBL6653634

c1cncc(-n2ncc3ccccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.65
CYP11B1 P15538 1/20 0.52
KDM4E B2RXH2 1/20 0.49
LRRK2 Q5S007 1/20 0.45
SMO Q99835 1/20 0.44
CYP2A6 P11509 2/20 0.43
GRM1 Q13255 2/20 0.43
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
KHK P50053 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL30708157 1.00 CYP11B2 (0.65) CYP11B2CYP11B1KDM4ELRRK2SMO
SCHEMBL30270004 0.83 KDM4E (0.56) CYP11B2CYP11B1KDM4ELRRK2HTT
SCHEMBL729956 0.83 KDM4E (0.56) CYP11B2CYP11B1KDM4ELRRK2HTT
SCHEMBL29741044 0.81 CYP11B2 (0.51) CYP11B2CYP11B1KDM4ELRRK2SMO
SCHEMBL29741071 0.81 CYP11B2 (0.55) CYP11B2CYP11B1KDM4ELRRK2GAA
Hydrochloric Acid SCHEMBL3379409 0.81 KDM4E (0.55) CYP11B2CYP11B1KDM4ELRRK2HTT
SCHEMBL15839063 0.79 CYP11B2 (0.78) CYP11B2CYP11B1LRRK2SMOKHK
SCHEMBL15825125 0.79 CYP11B2 (0.69) CYP11B2CYP11B1SMOMAPK1
SCHEMBL413216 0.79 CYP11B2 (0.69) CYP11B2CYP11B1SMOCYP2A6MAPK1
SCHEMBL15839046 0.79 CYP11B2 (1.00) CYP11B2CYP11B1SMOCYP1A2

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
EP-2934144-B1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 EP claimed
US-9522141-B2 Indazole compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-12-20 US claimed
US-20150320733-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US claimed
EP-2934144-B1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 EP disclosed
US-9522141-B2 Indazole compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-12-20 US disclosed
US-20150320733-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
EP-1432698-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
CN-1305462-A 1,5 and 3-O-substituted 1H-indazoles with antiasthmatic, antiallergic, antiinflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments DRESDEN ARZNEIMITTEL (DE) 2001-07-25 CN disclosed
EP-1077947-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-02-28 EP disclosed
US-6166023-A 1,5- and 3-O-substituted 1H-indazoles having anti-asthmatic, anti-allergic, anti-inflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-26 US disclosed
WO-1999058503-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 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 (1 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-20150320733-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP21A2, CYP11B1 CYP11B2 4/4885CYP11B1 3/4885KDM4E 2494/4885

“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.