SCHEMBL5412967

SCHEMBL5412967

Cc1cccc(-c2cnc(N)nc2-c2cc(C(=O)OCc3ccccc3)n(C(N)=O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.54
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ADORA2A P29274 8/20 0.42
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK10 P53779 1/20 0.39
PRKCZ Q05513 1/20 0.39
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36

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) ADORA1MAPTNPSR1ADORA2ALMNA
SCHEMBL5412975 0.90 ADORA1 (0.54) ADORA1MAPTNPSR1ADORA2AMAPK10
SCHEMBL7092132 0.90 ADORA1 (0.56) ADORA1MAPTNPSR1ADORA2ALMNA
SCHEMBL5413030 0.83 MAPT (0.38) ADORA1MAPTNPSR1ADORA2APRKCZ
SCHEMBL7089643 0.82 MAPT (0.52) ADORA1MAPTNPSR1ADORA2ALMNA
SCHEMBL5397043 0.76 CDC7 (0.43) MAPTADORA2A
SCHEMBL16893103 0.67 ADORA1 (0.54) ADORA1MAPTNPSR1ADORA2ALMNA
SCHEMBL5412959 0.67 ADORA1 (0.56) ADORA1ADORA2A
SCHEMBL5397397 0.67 ADORA1 (0.66) ADORA1ADORA2AGFERKMT2A
SCHEMBL7093351 0.65 JMJD6 (0.46) MAPTADORA2A

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

“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.