SCHEMBL9957480

SCHEMBL9957480

NC1CCCC(O)(Cc2ccccc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.34
▸ IDO1 P14902 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
SCHEMBL9957112 0.84 TAAR1 (0.36) MEN1KMT2ATAAR1TRPM8IDO1
SCHEMBL15294472 0.83 GRIN2B (0.40) GRIN2B
SCHEMBL10192225 0.78 ALDH1A1 (0.44) GRIN2BMEN1KMT2ATAAR1IDO1
SCHEMBL10191864 0.78 ALDH1A1 (0.44) GRIN2BMEN1KMT2ATAAR1IDO1
SCHEMBL9955730 0.77 TRPM8 (0.35) KMT2ATAAR1TRPM8IDO1
SCHEMBL9957024 0.77 GRIN2B (0.41) GRIN2BMEN1KMT2A
SCHEMBL10239279 0.73 KMT2A (0.36) MEN1KMT2A
SCHEMBL15284792 0.72 GRIN2B (0.38) GRIN2BMEN1KMT2A
SCHEMBL10237662 0.71 GRIN2B (0.37) GRIN2BTRPM8
SCHEMBL28536932 0.71 TAAR1 (0.40) TAAR1IDO1

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 10 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
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
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 GRIN2B 3101/4885MEN1 2007/4885KMT2A 2599/4885

“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.

Send feedback