SCHEMBL5402004

SCHEMBL5402004

Cc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2ccc(F)c(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.48
MAPK10 P53779 2/20 0.47
AURKA O14965 9/20 0.45
CDK2 P24941 8/20 0.45
MAP3K7 O43318 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3A P49840 1/20 0.43
ROCK1 Q13464 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL5400341 0.92 MAPK1 (0.51) MAPK1MAPK10AURKACDK2MAP3K7
SCHEMBL5397421 0.91 MAPK1 (0.48) MAPK1MAPK10ROCK1HDAC3HDAC1
SCHEMBL5396745 0.90 MAPK1 (0.47) MAPK1MAPK10ROCK1HDAC3HDAC1
SCHEMBL5403602 0.89 MAPK1 (0.46) MAPK1MAPK10HDAC3HDAC1HDAC2
SCHEMBL5403548 0.89 MAPK1 (0.46) MAPK1MAPK10HDAC3HDAC1HDAC2
SCHEMBL5401131 0.89 MAPK1 (0.47) MAPK1MAPK10ROCK1HDAC3HDAC1
SCHEMBL5405404 0.88 MAPK1 (0.44) MAPK1MAPK10HDAC3HDAC1HDAC2
SCHEMBL5405478 0.88 MAPK1 (0.44) MAPK1MAPK10HDAC3HDAC1HDAC2
SCHEMBL5415794 0.88 LMNA (0.44) MAPK1MAPK10AURKACDK2MAP3K7
SCHEMBL5397664 0.87 MAPK1 (0.51) MAPK1MAPK10AURKACDK2MAP3K7

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 11 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
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO 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 1/4885MAPK10 36/4885AURKA 3692/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885MAPK10 53/4885AURKA 1989/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885MAPK10 53/4885AURKA 1989/4885

“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.