SCHEMBL5390969

SCHEMBL5390969

Nc1ncc(-c2cccc(Cl)c2)c(-c2c[nH]c(C(=O)N3CCc4ccccc4C3)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.68
ADORA1 P30542 3/20 0.51
ADORA2A P29274 2/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPK10 P53779 1/20 0.49
PDE4B Q07343 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
DHFR P00374 1/20 0.41
ABCB1 P08183 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GAA P10253 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5398877 0.91 MAPK1 (0.54) MAPK1ADORA1ADORA2AMEN1KMT2A
SCHEMBL5410578 0.90 MAPK1 (0.54) MAPK1ADORA1MEN1KMT2ARXFP1
SCHEMBL5396928 0.87 MAPK1 (0.53) MAPK1MEN1KMT2APDE4BRXFP1
SCHEMBL4761520 0.87 MAPK1 (0.64) MAPK1ADORA1ADORA2AMAPK10DHFR
SCHEMBL5404667 0.84 ADORA1 (0.52) MAPK1ADORA1ADORA2AMEN1KMT2A
SCHEMBL5392529 0.84 MAPK1 (0.66) MAPK1ADORA1ADORA2AMAPK10PDE4B
SCHEMBL5412984 0.84 MAPK1 (0.54) MAPK1ADORA1ADORA2AMAPK10DHFR
SCHEMBL5405436 0.84 ADORA1 (0.54) MAPK1ADORA1ADORA2AMEN1KMT2A
SCHEMBL5403795 0.83 MAPK1 (0.55) MAPK1ADORA1ADORA2AMAPK10DHFR
SCHEMBL5402200 0.82 KMT2A (0.53) MAPK1ADORA1ADORA2AMEN1KMT2A

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.