SCHEMBL9960117

SCHEMBL9960117

CC(C)(C)N(C(=O)O)C1CCCC(F)(Cc2ccccc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ AGTR2 P50052 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ PER2 O15055 1/20 0.33
▸ CRY1 Q16526 1/20 0.33
▸ CRY2 Q49AN0 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL15284792 0.89 GRIN2B (0.38) ALDH1A1KDM4ERIPK1MEN1KMT2A
SCHEMBL10237663 0.72 KMT2A (0.43) KMT2ASMN1; SMN2L3MBTL1POLBRORC
SCHEMBL1921304 0.71 SIGMAR1 (0.53) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL10237662 0.71 GRIN2B (0.37) ALDH1A1SMN1; SMN2TRPM8
SCHEMBL9957112 0.71 TAAR1 (0.36) ALDH1A1MEN1KMT2ATRPM8
SCHEMBL4981384 0.70 ALDH1A1 (0.36) ALDH1A1KDM4ERIPK1MEN1KMT2A
SCHEMBL5170387 0.70 MEN1 (0.51) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9957416 0.69 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL10239196 0.67 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL17649800 0.67 HSD11B1 (0.32) —

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 5 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
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
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 ALDH1A1 821/4885KDM4E 1916/4885RIPK1 626/4885

“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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