SCHEMBL5400627

SCHEMBL5400627

CN(Cc1ccccc1)C(=O)c1cc(-c2nc(N)ncc2-c2ccccc2)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
ADORA1 P30542 6/20 0.46
ADORA2A P29274 3/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GFER P55789 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPK10 P53779 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL5412959 0.93 ADORA1 (0.56) MAPK1ADORA1ADORA2AROCK2ROCK1
SCHEMBL5412969 0.92 MAPK1 (0.67) MAPK1ADORA1ADORA2AROCK2ROCK1
SCHEMBL5415783 0.88 ADORA1 (0.57) MAPK1ADORA1ADORA2AROCK2ROCK1
SCHEMBL4760405 0.87 MAPK1 (0.58) MAPK1ADORA1ADORA2AKMT2AMAPT
SCHEMBL5413015 0.86 MAPK1 (0.51) MAPK1ADORA1ADORA2AROCK2ROCK1
SCHEMBL16893064 0.84 MAPT (0.45) ADORA1ADORA2AROCK2ROCK1KMT2A
SCHEMBL5397339 0.81 ADORA1 (0.57) ADORA1ADORA2AKMT2AMAPTNPSR1
SCHEMBL5397036 0.81 MAPK1 (0.49) MAPK1ADORA2AROCK2ROCK1KMT2A
Dimethylformamide SCHEMBL27599693 0.81 ADORA1 (0.48) MAPK1ADORA1ADORA2AKMT2AGFER
SCHEMBL14197234 0.78 MAPK1 (0.54) MAPK1ROCK2ROCK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 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 (3 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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 MAPK1 1/4885ADORA1 4421/4885ADORA2A 4397/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885ADORA1 4106/4885ADORA2A 4174/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885ADORA1 4106/4885ADORA2A 4174/4885

“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.