SCHEMBL2214102

SCHEMBL2214102

CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4ccc(OC)cc4)n[nH]c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
CSF1R P07333 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
RPS6KA3 P51812 1/20 0.43
ROCK1 Q13464 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
GSK3B P49841 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
FGFR4 P22455 1/20 0.40
MAPK14 Q16539 3/20 0.40
MAPT P10636 4/20 0.39
CYP2C9 P11712 2/20 0.39
HPGDS O60760 1/20 0.38
MAPK1 P28482 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
SCHEMBL2215758 0.86 MAPK1 (0.50) HSP90AA1ROCK2PRKD3CSF1RHSP90AB1
SCHEMBL2217263 0.79 MAPK14 (0.44) MAPK14MAPK1
SCHEMBL2215293 0.78 MAPK14 (0.44) HDAC1MAPK14
SCHEMBL2216299 0.77 GSK3A (0.46) ROCK2ROCK1GSK3BHDAC1HDAC2
SCHEMBL2216235 0.76 MAPK14 (0.43) HSP90AB1MAPK14MAPTCYP2C9HPGDS
SCHEMBL2217307 0.76 MAPK1 (0.57) MAPK14CYP2C9MAPK1MAPK11
SCHEMBL2215180 0.76 MAPK14 (0.52) MAPK14CYP2C9MAPK11
SCHEMBL4230063 0.76 ABL1 (0.48) GSK3BMAPK14CYP2C9MAPK1
SCHEMBL5563411 0.75 KDM4E (0.47) ROCK2ROCK1HDAC1HDAC2HDAC8
SCHEMBL2217915 0.75 KDM4E (0.47) HDAC1HDAC2HDAC8MAPK14MAPT

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 HSP90AA1 133/4885ROCK2 417/4885PRKD3 694/4885

“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.