SCHEMBL5400630

SCHEMBL5400630

NC(=O)n1cc(-c2nc(N)ncc2-c2ccccc2)cc1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ADORA1 P30542 12/20 0.47
ADORA2A P29274 7/20 0.47
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPK10 P53779 1/20 0.44
PRKCZ Q05513 2/20 0.41

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
SCHEMBL5412975 0.92 ADORA1 (0.54) MAPTNPSR1ADORA1ADORA2AMAPK10
SCHEMBL5412967 0.92 ADORA1 (0.54) MAPTNPSR1ADORA1ADORA2AGFER
SCHEMBL7089643 0.87 MAPT (0.52) MAPTNPSR1ADORA1ADORA2AGFER
SCHEMBL5413030 0.87 MAPT (0.38) MAPTNPSR1ADORA1ADORA2APRKCZ
SCHEMBL5397043 0.81 CDC7 (0.43) MAPTADORA2A
SCHEMBL7092132 0.81 ADORA1 (0.56) MAPTNPSR1ADORA1ADORA2AGFER
SCHEMBL7093351 0.67 JMJD6 (0.46) MAPTADORA2A
SCHEMBL4582424 0.67 ADORA1 (0.83) MAPTNPSR1ADORA1ADORA2AGFER
SCHEMBL25682098 0.66 RAB9A (0.54) MAPTADORA2AKMT2A
Ammonia Solution, Strong SCHEMBL28877790 0.66 ADORA1 (0.81) MAPTNPSR1ADORA1ADORA2AGFER

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 MAPT 4602/4885NPSR1 965/4885ADORA1 4421/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPT 4466/4885NPSR1 2468/4885ADORA1 4106/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPT 4466/4885NPSR1 2468/4885ADORA1 4106/4885

“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.