SCHEMBL4755612

SCHEMBL4755612

CCOC(=O)Nc1nc2[nH]nc(NC(=O)OC(C)(C)C)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
LCK P06239 8/20 0.42
HTT P42858 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL18572796 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL5578199 0.81 MAPT (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL5578194 0.79 CHRM4 (0.37) PI4KBLCKNPSR1ADORA2B
SCHEMBL5578105 0.78 CA1 (0.39) ALDH1A1PI4KBLCKNPSR1LMNA
SCHEMBL5577853 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL5577932 0.73 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL18548441 0.71 NPC1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL5578188 0.70 GFER (0.32) NPSR1
SCHEMBL8919365 0.70 GAA (0.58) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL349175 0.70 ALDH1A1 (0.68) SMN1; SMN2NPC1RAB9AALDH1A1LCK

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 SMN1; SMN2 3826/4885NPC1 2039/4885RAB9A 1840/4885

“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.