SCHEMBL2214600

SCHEMBL2214600

CCNC(=O)c1ccc(C)c(-c2cc3[nH]nc(Cc4cccc(Cl)c4)c3cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.49
MAPK1 P28482 5/20 0.43
MAPK3 P27361 1/20 0.43
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
NUDT1 P36639 1/20 0.39
LMNA P02545 1/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 2/20 0.39
BRD4 O60885 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL2216159 0.87 PARP1 (0.44) PARP1MAPK1ROCK2ROCK1PDGFRB
SCHEMBL2216481 0.85 PARP1 (0.43) PARP1MAPK1HSP90AA1HSP90AB1BRD4
SCHEMBL2214118 0.81 MAPK1 (0.46) MAPK1MAPK3HSP90AB1
SCHEMBL2217849 0.77 MAPK1 (0.46) MAPK1
SCHEMBL2217291 0.75 LRRK2 (0.44) MAPK1ROCK2ROCK1BRD4NR1H2
SCHEMBL2215978 0.75 MAPK1 (0.45) MAPK1MAPK3
SCHEMBL2217549 0.74 MAPK1 (0.48) MAPK1
SCHEMBL2217969 0.73 TRPA1 (0.56) MAPK1
SCHEMBL12511884 0.69 PARP1 (0.43) PARP1MAPK1MAPK3LMNABRD4
SCHEMBL4212929 0.69 DDR2 (0.49)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 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 (1 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-20070161673-A1 P38 kinase inhibitors MAPK1, MAPK7, MAP3K1 PARP1 3106/4885MAPK1 1/4885MAPK3 30/4885

“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.