SCHEMBL5056313

SCHEMBL5056313

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
ROCK2 O75116 10/20 0.40
ROCK1 Q13464 5/20 0.40
GSK3A P49840 3/20 0.40
CDC7 O00311 1/20 0.40
MAPK13 O15264 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL5062513 0.93 MAPK14 (0.43) ROCK2ROCK1GSK3AMAPK13MAPK14
SCHEMBL5060330 0.91 MAPK14 (0.46) FDPSROCK2ROCK1GSK3ACDC7
SCHEMBL5054772 0.91 FLT3 (0.38) FDPSROCK2ROCK1GSK3AMAPK14
SCHEMBL5052154 0.91 FDPS (0.38) FDPSROCK2ROCK1GSK3ACDC7
SCHEMBL5052318 0.87 KDR (0.45) ROCK2ROCK1KDR
SCHEMBL5055151 0.87 RAF1 (0.49) MAPK13DYRK3MAP4K4RPS6KB1CDK2
SCHEMBL5055058 0.87 IMPDH2 (0.40) ROCK2MAPK13MAPK14BRAFKDR
SCHEMBL5056291 0.86 KDR (0.38) MAPK14BRAFKDR
SCHEMBL5052156 0.85 ABL1 (0.44) MAPK13MAPK14SRCBRAFKDR
SCHEMBL5054508 0.85 KDR (0.37) MAPK14BRAFKDR

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 287/4885ROCK1 284/4885

“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.