SCHEMBL5412975

SCHEMBL5412975

NC(=O)n1cc(-c2nc(N)ncc2-c2cccc(Cl)c2)cc1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.54
ADORA2A P29274 7/20 0.54
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
DHFR P00374 1/20 0.42
MAPK1 P28482 1/20 0.38
MAPK10 P53779 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
SCHEMBL5400630 0.92 MAPT (0.51) ADORA1ADORA2AMAPTNPSR1MAPK10
SCHEMBL5412967 0.90 ADORA1 (0.54) ADORA1ADORA2AMAPTNPSR1MAPK10
SCHEMBL7089643 0.80 MAPT (0.52) ADORA1ADORA2AMAPTNPSR1MAPK10
SCHEMBL7092132 0.79 ADORA1 (0.56) ADORA1ADORA2AMAPTNPSR1MAPK10
SCHEMBL5397043 0.76 CDC7 (0.43) ADORA2AMAPT
SCHEMBL5399262 0.69 ADORA1 (0.48) ADORA1ADORA2ADHFR
SCHEMBL16893040 0.67 ADORA1 (0.53) ADORA1ADORA2AMAPTNPSR1DHFR
SCHEMBL5401957 0.67 ADORA1 (0.66) ADORA1ADORA2ADHFRMAPK1MAPK10
SCHEMBL5412969 0.66 MAPK1 (0.67) ADORA1ADORA2ADHFRMAPK1MAPK10
SCHEMBL2601328 0.66 PTGER1 (0.50) NPSR1

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 9 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
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO 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 ADORA1 4421/4885ADORA2A 4397/4885MAPT 4602/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885ADORA2A 4174/4885MAPT 4466/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885ADORA2A 4174/4885MAPT 4466/4885

“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.