SCHEMBL6657347

SCHEMBL6657347

c1cncc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.64
▸ CYP11B2 P19099 7/20 0.57
▸ CYP11B1 P15538 6/20 0.57
▸ CYP17A1 P05093 5/20 0.57
▸ CYP19A1 P11511 4/20 0.57
▸ GRM1 Q13255 1/20 0.54
▸ FGFR1 P11362 1/20 0.54
▸ QPCT Q16769 1/20 0.53
▸ QPCTL Q9NXS2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ PIP4K2A P48426 1/20 0.49
▸ PIP4K2B P78356 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ NISCH Q9Y2I1 1/20 0.49
▸ ATR Q13535 1/20 0.48
▸ CCNC P24863 1/20 0.47
▸ CDK8 P49336 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
SCHEMBL7497614 0.87 FGFR1 (0.62) CYP11B2CYP11B1CYP17A1CYP19A1FGFR1
Ethoxycarbonyl Group SCHEMBL28015039 0.83 MMP2 (0.51) NPC1CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL1422788 0.82 NPC1 (0.66) NPC1ALDH1A1
SCHEMBL6655349 0.81 NPC1 (0.59) NPC1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL24222501 0.80 PIK3CD (0.61) NPC1CYP11B2CYP11B1CYP17A1GRM1
SCHEMBL5850255 0.80 NPC1 (0.79) NPC1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL3956542 0.79 CYP17A1 (0.76) NPC1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL446619 0.78 NPC1 (1.00) NPC1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL30587350 0.78 NPC1 (1.00) NPC1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL26260198 0.78 CYP11B2 (0.88) NPC1CYP11B2CYP11B1CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 — — CN claimed
EP-2903615-B1 5-PYRIDIN-3-YL-2,3-DIHYDRO-1H-INDOLE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2) INHIBITORS FOR THE TREATMENT OF HYPERTENSION MERCK SHARP & DOHME (US) 2021-04-07 — — EP disclosed
EP-2903615-B1 5-PYRIDIN-3-YL-2,3-DIHYDRO-1H-INDOLE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2) INHIBITORS FOR THE TREATMENT OF HYPERTENSION MERCK SHARP & DOHME (US) 2021-04-07 — — EP disclosed
US-9745282-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP (US) 2017-08-29 — — US disclosed
US-9745282-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP (US) 2017-08-29 — — US disclosed
US-9745282-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP (US) 2017-08-29 — — US disclosed
US-9550750-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-24 — — US disclosed
US-9550750-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-24 — — US disclosed
US-9550750-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-24 — — US disclosed
US-20160304486-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-10-20 — — US disclosed
US-20160304486-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-10-20 — — US disclosed
US-20150225365-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2015-08-13 — — US disclosed
US-20150225365-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2015-08-13 — — US disclosed
US-20150225365-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2015-08-13 — — US disclosed
EP-2903615-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITIORS RELATED APPLICATIONS Merck Sharp & Dohme Corp. (US) 2015-08-12 — — EP disclosed
WO-2014055595-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITIORS RELATED APPLICATIONS MERCK SHARP & DOHME CORP. (US) 2014-04-10 — — WO disclosed
US-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 — — 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
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 — — WO disclosed
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 — — CN 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 (3 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 NPC1 2631/4885CYP11B2 53/4885CYP11B1 30/4885
US-20160304486-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B1, CYP11B2 NPC1 1390/4885CYP11B2 3/4885CYP11B1 2/4885
US-20150225365-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, HSD11B1 NPC1 873/4885CYP11B2 2/4885CYP11B1 1/4885

“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.

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