SCHEMBL5407380

SCHEMBL5407380

Nc1ncc(-c2ccccc2)c(-c2c[nH]c(C(=O)N3CCCC3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
MAPK10 P53779 1/20 0.48
ADORA1 P30542 14/20 0.48
ADORA2A P29274 10/20 0.48
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
TSHR P16473 1/20 0.41
RECQL P46063 1/20 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
SCHEMBL5402140 0.91 HRH4 (0.46) MAPK1MAPK10ADORA1ADORA2AGFER
SCHEMBL5401255 0.91 MAPK1 (0.51) MAPK1ADORA1ADORA2AGFERKMT2A
SCHEMBL5396033 0.91 ADORA1 (0.46) MAPK1MAPK10ADORA1ADORA2AGFER
SCHEMBL5392519 0.90 TACR3 (0.48) ADORA1ADORA2AGFERKMT2A
SCHEMBL5407464 0.90 L3MBTL3 (0.47) MAPK1MAPK10ADORA1ADORA2A
SCHEMBL4761520 0.89 MAPK1 (0.64) MAPK1MAPK10ADORA1ADORA2AATP4A
SCHEMBL5395571 0.89 ALOX5AP (0.43) MAPK1MAPK10ADORA1ADORA2AGFER
SCHEMBL7089512 0.88 MAPK1 (0.60) MAPK1MAPK10ADORA1ADORA2A
SCHEMBL5415801 0.86 ALDH1A1 (0.53) MAPK1KMT2ATSHR
SCHEMBL5398877 0.86 MAPK1 (0.54) MAPK1ADORA1ADORA2AKMT2A

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-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
CN-1494541-A heterocyclic inhibitors of ERK2 and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-05-05 CN 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 (2 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-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885MAPK10 53/4885ADORA1 4106/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885MAPK10 53/4885ADORA1 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.