SCHEMBL2216159

SCHEMBL2216159

CCNC(=O)c1ccc(C)c(-c2cc3[nH]nc(Cc4ccc(F)c(F)c4)c3cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.44
MAPK1 P28482 4/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPK14 Q16539 2/20 0.36
CYP2C9 P11712 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
S1PR3 Q99500 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL2216481 0.91 PARP1 (0.43) PARP1MAPK1MAPK14CYP2C9ABL1
SCHEMBL2214600 0.87 PARP1 (0.49) PARP1MAPK1ROCK2ROCK1PDGFRB
SCHEMBL2217549 0.80 MAPK1 (0.48) MAPK1MAPK14
SCHEMBL2215978 0.78 MAPK1 (0.45) MAPK1MAPK14
SCHEMBL2214118 0.78 MAPK1 (0.46) MAPK1MAPK14
SCHEMBL2217849 0.77 MAPK1 (0.46) MAPK1
SCHEMBL2217969 0.74 TRPA1 (0.56) MAPK1MAPK14
SCHEMBL2217291 0.72 LRRK2 (0.44) MAPK1ROCK2ROCK1MAPK14
SCHEMBL2217307 0.70 MAPK1 (0.57) MAPK1MAPK14CYP2C9
SCHEMBL4212929 0.69 DDR2 (0.49) MAPK14CYP2C9ABL1BCR

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 5 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
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 1/4885ROCK2 417/4885

“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.