SCHEMBL15816121

SCHEMBL15816121

CCOc1ccc(/C=C2\SC(=O)N(CCNCc3ccc(C#N)cc3)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.60
▸ MAOA P21397 3/20 0.60
▸ MAOB P27338 3/20 0.60
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MITF O75030 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ MYC P01106 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ IKBKB O14920 1/20 0.45
▸ ENPP2 Q13822 1/20 0.45
▸ MAX P61244 1/20 0.44

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
SCHEMBL15816123 1.00 MAPK1 (0.60) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816125 1.00 MAPK1 (0.60) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816601 0.88 MAOA (0.65) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816604 0.88 MAOA (0.65) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816605 0.88 MAOA (0.65) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15831493 0.86 MEN1 (0.63) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15815407 0.85 MAPK1 (0.62) MAPK1MAOAMAOBMEN1POLB
SCHEMBL15815406 0.85 MAPK1 (0.62) MAPK1MAOAMAOBMEN1POLB
SCHEMBL15815403 0.85 MAPK1 (0.62) MAPK1MAOAMAOBMEN1POLB
SCHEMBL15817186 0.84 MAPK1 (0.73) MAPK1MAOAMAOBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 MAPK1 1/4885MAOA 4054/4885MAOB 3865/4885

“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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