SCHEMBL13237237

SCHEMBL13237237

FC(F)(F)c1csc(-c2ccc3ncsc3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.52
DYRK1A Q13627 1/20 0.49
BMPR1A P36894 1/20 0.45
SMAD2 Q15796 1/20 0.45
APP P05067 1/20 0.44
RIPK1 Q13546 1/20 0.41
QPCT Q16769 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 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
SCHEMBL13217779 0.81 TGFBR1 (0.62) TGFBR1BMPR1ASMAD2
SCHEMBL13218300 0.79 TGFBR1 (0.50) TGFBR1
SCHEMBL13237158 0.78 TGFBR1 (0.68) TGFBR1DYRK1ABMPR1ASMAD2
SCHEMBL18004102 0.74 NPC1 (0.56) TGFBR1DYRK1AAPPRIPK1PIK3CA
SCHEMBL13217772 0.74 NPC1 (0.39) TGFBR1DYRK1AAPPRIPK1MEN1
SCHEMBL31214345 0.74 DYRK1A (0.72) TGFBR1DYRK1ABMPR1ASMAD2APP
SCHEMBL26123540 0.73 MAPT (0.53) APPMEN1POLBKMT2A
SCHEMBL13217774 0.71 RAB9A (0.51) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL10916295 0.70 KDM4E (0.49) QPCTMEN1NPC1POLBRAB9A
SCHEMBL18725061 0.70 QPCT (0.38) QPCTMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216787-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-7678810-B2 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-03-16 US disclosed
US-20070154428-A1 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 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 (2 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-20100216787-A1 THIAZOLE DERIVATIVE TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885DYRK1A 2191/4885BMPR1A 55/4885
US-20070154428-A1 Thiazole derivative TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885DYRK1A 2191/4885BMPR1A 55/4885

“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.