SCHEMBL14893158

SCHEMBL14893158

CC(NC(N)=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.60
▸ NPC1 O15118 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 2/20 0.46
▸ MAOA P21397 1/20 0.45

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
SCHEMBL16110714 1.00 HTT (0.60) HTTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL27910828 0.82 ALDH1A1 (0.45) HTTALDH1A1KDM4EKMT2ALMNA
SCHEMBL1617024 0.82 HTT (0.62) HTTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL1615756 0.82 HTT (0.62) HTTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL29261487 0.82 LMNA (0.61) ALDH1A1LMNA
SCHEMBL23000164 0.82 HTT (0.62) HTTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL6174378 0.82 HTT (0.62) HTTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL4322956 0.82 HTT (0.62) HTTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL4451432 0.82 HTT (0.62) HTTNPC1ALDH1A1KDM4EKMT2A
SCHEMBL4322952 0.81 HTT (0.60) HTTNPC1ALDH1A1KDM4EKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
EP-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 — — EP disclosed
CN-105050598-B Novel compounds as ERK inhibitors 默沙东公司 2018-04-27 — — CN disclosed
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 — — EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 — — EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 — — EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 — — US disclosed
CN-105050598-A Novel compounds as ERK inhibitors MERCK SHARP & DOHME 2015-11-11 — — CN disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 — — US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — US disclosed
EP-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 — — EP disclosed
EP-2900241-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 — — EP disclosed
US-9023865-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-05-05 — — US disclosed
US-20140296203-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 — — US disclosed
EP-2770987-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-03 — — EP disclosed
WO-2013063214-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — WO disclosed
CN-1478084-A Compounds useful in treatment of inflammatory diseases — 2004-02-25 — — CN 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 (4 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-20140296203-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 HTT 4826/4885NPC1 1602/4885ALDH1A1 545/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 HTT 4676/4885NPC1 933/4885ALDH1A1 670/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 HTT 4826/4885NPC1 1602/4885ALDH1A1 545/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 HTT 4859/4885NPC1 2439/4885ALDH1A1 358/4885

“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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