SCHEMBL14859419

SCHEMBL14859419

COc1cccc(F)c1CN1CCCC(NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ SCN9A Q15858 5/20 0.42
▸ GPR119 Q8TDV5 1/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL6797136 0.81 F10 (0.46) F2F10PRSS1KMT2AL3MBTL1
SCHEMBL17076312 0.80 MAPK1 (0.53) MAPK1
SCHEMBL17076311 0.80 MAPK1 (0.53) MAPK1
SCHEMBL12527914 0.77 KMT2A (0.55) F2F10PRSS1KMT2AL3MBTL1
SCHEMBL13120847 0.76 F2 (0.49) F2F10PRSS1KMT2AL3MBTL1
SCHEMBL9985460 0.76 MAPK1 (0.43) MAPK1SMN1; SMN2
SCHEMBL12527916 0.76 KMT2A (0.54) F2F10PRSS1KMT2AL3MBTL1
SCHEMBL31291922 0.75 SCN9A (0.45) F2F10PRSS1SCN9AKMT2A
SCHEMBL31291853 0.75 SCN9A (0.45) F2F10PRSS1SCN9AKMT2A
SCHEMBL319693 0.75 F2 (0.56) F2F10PRSS1KMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584903-B1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-24 — — EP disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 — — US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 — — US 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-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MAPK1, MAPK6, MAPK3 F2 3391/4885F10 3221/4885PRSS1 1507/4885

“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