SCHEMBL10237663

SCHEMBL10237663

CC(C)(C)OC(=O)NC1CCCC(F)(Cc2ccccc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RORC P51449 1/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 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
SCHEMBL9956650 0.90 KMT2A (0.43) KMT2AL3MBTL1RORCKCNA3KDM1A
SCHEMBL9957136 0.82 KMT2A (0.45) KMT2AL3MBTL1RORCKCNA3KDM1A
SCHEMBL10239218 0.82 KMT2A (0.45) KMT2AL3MBTL1RORCKCNA3KDM1A
SCHEMBL18928233 0.73 BTK (0.52) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL18925569 0.73 BTK (0.52) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL13961431 0.73 BTK (0.52) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL12533621 0.73 SIGMAR1 (0.63) KMT2AL3MBTL1KCNA3DRD2POLB
SCHEMBL9960117 0.72 ALDH1A1 (0.37) KMT2AL3MBTL1RORCSMN1; SMN2POLB
SCHEMBL9957024 0.72 GRIN2B (0.41) KMT2ASMN1; SMN2
SCHEMBL10237662 0.72 GRIN2B (0.37) MAPTSMN1; 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 4 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
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 — — 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

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 KMT2A 2599/4885L3MBTL1 2911/4885RORC 776/4885

“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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