SCHEMBL5405423

SCHEMBL5405423

CS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nc(N)ncc3-c3cc(Cl)cc(Cl)c3)c[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.45
MAPK8 P45983 11/20 0.45
MAPK9 P45984 11/20 0.45
MAPK1 P28482 7/20 0.45
CYP2C9 P11712 1/20 0.44
NAMPT P43490 1/20 0.44
PRKD3 O94806 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
CCR1 P32246 1/20 0.41
AKR1C3 P42330 1/20 0.39
DYRK3 O43781 1/20 0.39
JUN P05412 1/20 0.39
CSF1R P07333 1/20 0.39
RPS27 P42677 1/20 0.39

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
SCHEMBL16893104 0.87 MAPK8 (0.41) MAPK10MAPK8MAPK9MAPK1CYP2C9
SCHEMBL5405404 0.78 MAPK1 (0.44) MAPK10MAPK1
SCHEMBL5399205 0.75 ADORA1 (0.48)
SCHEMBL5403548 0.74 MAPK1 (0.46) MAPK10MAPK1
SCHEMBL5402004 0.74 MAPK1 (0.48) MAPK10MAPK1
SCHEMBL5415794 0.74 LMNA (0.44) MAPK10MAPK1
SCHEMBL5397421 0.73 MAPK1 (0.48) MAPK10MAPK1
SCHEMBL5397664 0.73 MAPK1 (0.51) MAPK10MAPK1
SCHEMBL5410648 0.73 PKM (0.50) MAPK10MAPK1CYP2C9
SCHEMBL16892989 0.73 MAPK1 (0.40) MAPK1CYP2C9

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 MAPK10 36/4885MAPK8 22/4885MAPK9 29/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK10 53/4885MAPK8 23/4885MAPK9 39/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK10 53/4885MAPK8 23/4885MAPK9 39/4885

“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.