SCHEMBL2215758

SCHEMBL2215758

CCNC(=O)c1cc(F)c(C)c(-c2cc3[nH]nc(-c4ccc(OC)cc4)c3cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.50
MAPK14 Q16539 5/20 0.42
HSP90AA1 P07900 2/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
CSF1R P07333 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
RPS6KA3 P51812 1/20 0.42
ROCK1 Q13464 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CYP2C9 P11712 4/20 0.40
MAPK11 Q15759 3/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
BUB1 O43683 1/20 0.39
PRKACG P22612 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ACSL5 Q9ULC5 1/20 0.39

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
SCHEMBL2217307 0.91 MAPK1 (0.57) MAPK1MAPK14CYP2C9MAPK11
SCHEMBL2214102 0.86 HSP90AA1 (0.43) MAPK1MAPK14HSP90AA1ROCK2PRKD3
SCHEMBL4229006 0.79 MAP2K4 (0.43) MAPK1MAPK14CYP2C9
SCHEMBL2217549 0.79 MAPK1 (0.48) MAPK1MAPK14
SCHEMBL4230063 0.78 ABL1 (0.48) MAPK1MAPK14CYP2C9MAPKAPK2
SCHEMBL2217291 0.78 LRRK2 (0.44) MAPK1MAPK14ROCK2ROCK1PRKACG
SCHEMBL4225132 0.77 MAP2K4 (0.47) MAPK1MAPK14CYP2C9
SCHEMBL2211474 0.76 MAPK14 (0.46) MAPK14ROCK2HSP90AB1ROCK1CYP2C9
SCHEMBL2215978 0.76 MAPK1 (0.45) MAPK1MAPK14
SCHEMBL4220579 0.76 MAPK1 (0.42) MAPK1MAPK14CYP2C9

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 MAPK1 1/4885MAPK14 14/4885HSP90AA1 133/4885

“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.