SCHEMBL5402197

SCHEMBL5402197

CC(=O)N1CCN(C(=O)c2cc(-c3nc(N)ncc3-c3cccc(Cl)c3F)c[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
MAPK10 P53779 1/20 0.40
MAP3K11 Q16584 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2C P28335 1/20 0.36
CLK1 P49759 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
RAB9A P51151 1/20 0.36
GRIN2B Q13224 3/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
JAK1 P23458 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CDK5 Q00535 2/20 0.35

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
SCHEMBL4761518 0.92 MAPK1 (0.48) MAPK1MAPK10MEN1ALDH1A1KMT2A
SCHEMBL5401500 0.90 HRH4 (0.46) MAPK1MAPK10KMT2AHRH4GRIN2B
SCHEMBL5401483 0.90 MAPK1 (0.50) MAPK1MAPK10HTR2CALOX5APFEN1
SCHEMBL5397231 0.90 HTR2C (0.41) MAPK1MAPK10MEN1ALDH1A1KMT2A
SCHEMBL27582179 0.89 MAPK1 (0.38) MAPK1MAPK10MEN1ALDH1A1KMT2A
SCHEMBL5396219 0.89 KMT2A (0.41) MAPK1MAPK10MEN1ALDH1A1KMT2A
SCHEMBL27582182 0.88 MAPK1 (0.37) MAPK1MAPK10MEN1ALDH1A1KMT2A
SCHEMBL5407288 0.88 MEN1 (0.53) MAPK1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5391336 0.87 KDM4E (0.48) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5395573 0.86 CCKAR (0.46) MAPK1MEN1ALDH1A1KMT2ASMN1; SMN2

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 36/4885MAP3K11 53/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885MAPK10 53/4885MAP3K11 36/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MAPK1 1/4885MAPK10 53/4885MAP3K11 36/4885

“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.