SCHEMBL5400360

SCHEMBL5400360

Nc1ncc(-c2cccc(Cl)c2F)c(-c2c[nH]c(C(=O)O)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.43
ADORA2A P29274 8/20 0.43
KMO O15229 2/20 0.41
NOTUM Q6P988 1/20 0.40
CDC7 O00311 2/20 0.39
EPAS1 Q99814 1/20 0.39
CLK1 P49759 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL27582177 0.91 ADORA1 (0.39) ADORA1ADORA2AKMOCDC7EPAS1
SCHEMBL27582176 0.88 MAPK1 (0.37) ADORA1ADORA2AKMOCDC7EPAS1
SCHEMBL4761518 0.85 MAPK1 (0.48) ADORA1ADORA2A
SCHEMBL5413015 0.84 MAPK1 (0.51) ADORA1ADORA2A
SCHEMBL27582114 0.84 ADORA1 (0.37) ADORA1ADORA2AKMOCDC7EPAS1
SCHEMBL5397231 0.83 HTR2C (0.41)
SCHEMBL5402197 0.83 MAPK1 (0.40) ADORA1ADORA2ACLK1
SCHEMBL5401483 0.83 MAPK1 (0.50)
SCHEMBL5396219 0.83 KMT2A (0.41)
SCHEMBL5401957 0.83 ADORA1 (0.66) ADORA1ADORA2ANOTUM

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 15 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
CN-100534991-C Heterocyclic inhibitors of ERK 2 and uses thereof VERTEX PHARMA (US) 2009-09-02 CN claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
CN-1494541-A heterocyclic inhibitors of ERK2 and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-05-05 CN 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
CN-100534991-C Heterocyclic inhibitors of ERK 2 and uses thereof VERTEX PHARMA (US) 2009-09-02 CN 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
CN-1494541-A heterocyclic inhibitors of ERK2 and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-05-05 CN 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 ADORA1 4421/4885ADORA2A 4397/4885KMO 2209/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885ADORA2A 4174/4885KMO 2255/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885ADORA2A 4174/4885KMO 2255/4885

“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.