Sugi Predict

Sugi Predict / Compounds / SCHEMBL9957209

SCHEMBL9957209

SCHEMBL9957209

CC(C)(C)OC(=O)NC1CCCC(Oc2ccccc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM1A O60341 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ EPHX2 P34913 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNG7 P62955 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38

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
SCHEMBL25937278 0.87 BTK (0.44) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL25741446 0.83 BTK (0.58) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL9957337 0.83 HPGD (0.45) KMT2AEPHX2HPGDPDE4DPDE4B
SCHEMBL29874413 0.80 SLC6A2 (0.45) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL25937251 0.79 BTK (0.44) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21232389 0.79 KMT2A (0.53) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL20106543 0.79 KMT2A (0.53) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL9913822 0.79 KMT2A (0.42) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL29875175 0.78 KDM4D (0.43) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL25741445 0.76 BTK (0.49) BTKKMT2AL3MBTL1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 — — EP disclosed
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 — — EP disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 — — US disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 — — US disclosed
EP-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 — — EP disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 — — US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 — — US disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 — — WO disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 — — 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 (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-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 BTK 349/4885KMT2A 2599/4885L3MBTL1 2911/4885

“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.