SCHEMBL14809290

SCHEMBL14809290

CC(C)(C)C(=O)Nc1cc(F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ RORC P51449 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ AR P10275 1/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ BRAF P15056 1/20 0.43

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
SCHEMBL18785787 0.81 LMNA (0.53) ABL1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2035487 0.81 LMNA (0.68) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL19890689 0.81 L3MBTL1 (0.55) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL16253003 0.81 AR (0.58) LMNARORCARL3MBTL1GRM5
SCHEMBL25240657 0.80 LMNA (0.49) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12516546 0.80 LMNA (0.49) ABL1LMNANPC1RAB9ATP53
SCHEMBL209579 0.80 LMNA (0.49) LMNARORCNPC1RAB9AMAPT
SCHEMBL31420103 0.80 LMNA (0.49) LMNARORCNPC1RAB9AMAPT
SCHEMBL19962829 0.80 GRM5 (0.41) ABL1LMNARORCMAPTGSK3B
SCHEMBL29402022 0.80 ATR (0.46) RORCNPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 — — US disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 — — US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 — — US disclosed
EP-2757883-B1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2021-01-13 — — EP disclosed
EP-2757883-B1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2021-01-13 — — EP disclosed
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-06-04 — — US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 — — US disclosed
US-9567333-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-14 — — US disclosed
US-9567333-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-14 — — US disclosed
US-20160039817-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-02-11 — — US disclosed
US-9193724-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-24 — — US disclosed
US-9193724-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-24 — — US disclosed
US-9193724-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-24 — — US disclosed
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 — — US disclosed
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 — — US disclosed
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 — — US disclosed
EP-2757883-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-30 — — EP disclosed
WO-2013043520-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 — — WO disclosed
WO-2013043520-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 — — 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 (7 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 ABL1 7/4885LMNA 1523/4885RORC 1182/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 ABL1 7/4885LMNA 1523/4885RORC 1182/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 ABL1 7/4885LMNA 1523/4885RORC 1182/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 ABL1 7/4885LMNA 1523/4885RORC 1182/4885
US-20160039817-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, HSD11B1, CYP17A1 ABL1 456/4885LMNA 2189/4885RORC 485/4885
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, CYP11B2 ABL1 456/4885LMNA 1914/4885RORC 526/4885
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 ABL1 7/4885LMNA 1523/4885RORC 1182/4885

“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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