SCHEMBL4697772

SCHEMBL4697772

CC(C)(C)OC(=O)Nc1cc(NC(N)=S)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
ATR Q13535 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GFER P55789 3/20 0.34
MAPK1 P28482 1/20 0.34
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
SCN9A Q15858 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL4699047 0.79 MAP4K4 (0.39) ALDH1A1AURKAAURKBKDM4ELMNA
SCHEMBL20672997 0.77 ATR (0.39) KDM4ELMNAATRNPSR1CA1
SCHEMBL1554963 0.76 AURKA (0.39) ALDH1A1AURKAAURKBKDM4ELMNA
SCHEMBL24035215 0.76 LCK (0.38) ALDH1A1KDM4ELMNAATRNPSR1
SCHEMBL4697777 0.74 ATR (0.33) ALDH1A1GAAAURKAAURKBKDM4E
SCHEMBL5577841 0.74 RAB9A (0.49) ALDH1A1GAAKDM4ELMNAHDAC3
SCHEMBL16534093 0.71 HCAR3 (0.49) AURKAAURKBMAPK1SCN9A
SCHEMBL4697055 0.71 MAPT (0.38) ALDH1A1KDM4ELMNAATRMAP4K4
SCHEMBL16534089 0.70 MAPK1 (0.51) ALDH1A1GAALMNAATRMAPK1
SCHEMBL7130465 0.70 MAPKAPK2 (0.41) ALDH1A1GAALMNAMAPKAPK2CA1

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-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 WO 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 ALDH1A1 3700/4885GAA 3105/4885AURKA 265/4885

“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.