SCHEMBL5052154

SCHEMBL5052154

CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)(C)C)nc3-c3ccc4[nH]ncc4c3)cc2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
ROCK2 O75116 6/20 0.38
GSK3A P49840 4/20 0.38
MAPK14 Q16539 4/20 0.38
ROCK1 Q13464 2/20 0.38
AURKB Q96GD4 2/20 0.38
CDC7 O00311 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 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
SCHEMBL5052194 0.92 MAPK14 (0.46) MAPK14MAPK13KDRBRAFFLT3
SCHEMBL5052184 0.91 MAPK14 (0.43) ROCK2GSK3AMAPK14ROCK1MAPK13
SCHEMBL5056313 0.91 FDPS (0.40) FDPSROCK2GSK3AMAPK14ROCK1
SCHEMBL5055087 0.88 KDR (0.40) MAPK14AURKBMAPK13KDRBRAF
SCHEMBL5052255 0.86 KDR (0.44) ROCK2ROCK1KDRRIPK2
SCHEMBL5055055 0.86 KDR (0.40) MAPK14AURKBMAPK13KDRBRAF
SCHEMBL5054813 0.86 RAF1 (0.50) MAPK14AURKBMAPK13DYRK3MAP4K4
SCHEMBL5061968 0.86 AURKA (0.39) MAPK14AURKBMAPK13KDRBRAF
SCHEMBL5060142 0.86 ABL1 (0.46) MAPK14AURKBMAPK13KDRBRAF
SCHEMBL5062513 0.83 MAPK14 (0.43) ROCK2GSK3AMAPK14ROCK1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed

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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 FDPS 3029/4885ROCK2 287/4885GSK3A 503/4885

“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.