SCHEMBL5407262

SCHEMBL5407262

O=C(O)c1cc(-c2nc(Nc3ccccc3)ncc2-c2cc(Cl)cc(Cl)c2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.51
CDK2 P24941 10/20 0.51
MAPK1 P28482 4/20 0.49
ADORA1 P30542 3/20 0.42
PLK1 P53350 1/20 0.42
PTGS2 P35354 1/20 0.41
NOTUM Q6P988 1/20 0.41
CCNA2 P20248 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 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
SCHEMBL2787595 0.81 AURKA (0.69) AURKACDK2MAPK1
SCHEMBL5407477 0.80 CNR2 (0.48) AURKACDK2MAPK1
SCHEMBL5395561 0.80 AURKA (0.56) AURKACDK2MAPK1GSK3AGSK3B
SCHEMBL5399205 0.79 ADORA1 (0.48) ADORA1NOTUM
SCHEMBL27582157 0.79 AURKA (0.53) AURKACDK2MAPK1GSK3B
SCHEMBL5407573 0.79 AURKA (0.51) AURKACDK2MAPK1PLK1CCNA2
SCHEMBL5410667 0.76 CAMKK1 (0.52) AURKACDK2MAPK1PLK1CCNA2
SCHEMBL5403938 0.76 AURKA (0.53) AURKACDK2MAPK1
Propionamide SCHEMBL27582122 0.76 AURKA (0.64) AURKACDK2MAPK1GSK3A
SCHEMBL5395800 0.75 AURKA (0.71) AURKACDK2MAPK1GSK3A

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 AURKA 3692/4885CDK2 66/4885MAPK1 1/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 AURKA 1989/4885CDK2 9/4885MAPK1 1/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 AURKA 1989/4885CDK2 9/4885MAPK1 1/4885

“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.