SCHEMBL9957112

SCHEMBL9957112

NC1CCCC(F)(Cc2ccccc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ PKM P14618 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ TRPM8 Q7Z2W7 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL9957480 0.84 GRIN2B (0.40) TAAR1KMT2AIDO1TRPM8MEN1
SCHEMBL9955730 0.78 TRPM8 (0.35) TAAR1KMT2APKMIDO1ALDH1A1
SCHEMBL10239279 0.74 KMT2A (0.36) KMT2APKMALDH1A1KDM1AMAOA
SCHEMBL28536932 0.72 TAAR1 (0.40) TAAR1IDO1ALDH1A1KDM1AMAOA
SCHEMBL9960117 0.71 ALDH1A1 (0.37) KMT2AALDH1A1TRPM8MEN1
SCHEMBL15294472 0.70 GRIN2B (0.40) —
SCHEMBL4052580 0.69 OPRL1 (0.44) TAAR1IDO1ALDH1A1KDM1AMAOA
SCHEMBL2474184 0.67 MAOA (0.52) TAAR1KMT2AIDO1ALDH1A1KDM1A
SCHEMBL9959950 0.65 ATM (0.40) KMT2AKDM1AMAOAMAOBDPP4
SCHEMBL31118122 0.65 TAAR1 (0.47) TAAR1KMT2AIDO1ALDH1A1MAOB

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 TAAR1 2395/4885KMT2A 2599/4885PKM 1402/4885

“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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