SCHEMBL5578199

SCHEMBL5578199

CC(C)(C)OC(=O)Nc1n[nH]c2nc(NC(=O)C3CC3)sc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BRAF P15056 1/20 0.44
AHR P35869 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATAD2 Q6PL18 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
GSK3B P49841 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GSK3A P49840 2/20 0.39
HSP90AA1 P07900 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) MAPTALDH1A1HSD17B10NPC1RAB9A
SCHEMBL5578194 0.83 CHRM4 (0.37)
SCHEMBL14454842 0.83 AHR (0.49) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL4755612 0.81 SMN1; SMN2 (0.44) MAPTALDH1A1TSHRHSD17B10NPC1
SCHEMBL5578105 0.78 CA1 (0.39) ALDH1A1KDM4E
SCHEMBL14454821 0.78 AHR (0.44) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL5578188 0.77 GFER (0.32)
SCHEMBL14454830 0.77 HSD17B10 (0.49) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL14454812 0.75 GSK3A (0.49) MAPTAHRNPC1RAB9AMEN1
SCHEMBL14454819 0.74 ALDH1A1 (0.48) MAPTALDH1A1TSHRHSD17B10AHR

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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 MAPT 773/4885ALDH1A1 3700/4885TSHR 1928/4885

“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.