SCHEMBL17238734

SCHEMBL17238734

COc1ccncc1-n1nc(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.42
▸ CYP11B1 P15538 4/20 0.42
▸ CYP11B2 P19099 4/20 0.42
▸ CYP17A1 P05093 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ SLC2A1 P11166 2/20 0.39
▸ SLC2A2 P11168 2/20 0.39
▸ SLC2A3 P11169 2/20 0.39
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KHK P50053 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL17238739 0.82 CYP11B1 (0.46) PLK1CYP11B1CYP11B2CYP17A1CYP1A2
SCHEMBL17247300 0.78 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL15839038 0.77 CYP11B2 (0.46) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL17238736 0.74 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP2C9LMNA
SCHEMBL29591487 0.72 CYP11B2 (0.57) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL13202647 0.72 CYP11B2 (0.57) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL15839074 0.70 CYP11B2 (0.62) PLK1CYP11B1CYP11B2CYP19A1CYP2C9
SCHEMBL12253506 0.69 CA9 (0.53) PLK1CYP11B1CYP11B2LMNAL3MBTL1
SCHEMBL26100088 0.69 CYP17A1 (0.42) CYP11B2CYP17A1CYP1A2CA12CA1
SCHEMBL13202375 0.68 PLK1 (0.50) PLK1CYP11B1CYP11B2CYP19A1CYP2C9

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 6 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 disclosed
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-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
US-20150320733-A1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 — — 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 (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 PLK1 1303/4885CYP11B1 3/4885CYP11B2 4/4885

“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.

Send feedback