SCHEMBL304836

SCHEMBL304836

CC1(C)CC(=O)c2sc(Br)nc2C1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.69
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
PIK3CD O00329 4/20 0.55
PIK3CA P42336 4/20 0.55
PIK3CB P42338 4/20 0.55
PIK3CG P48736 4/20 0.55
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL12680949 0.81 ALDH1A1 (0.69) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL305618 0.81 ALDH1A1 (1.00) ALDH1A1NPC1RAB9APIK3CDPIK3CA
Bromide SCHEMBL3828169 0.80 ALDH1A1 (0.96) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL12680625 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL12681554 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL12415758 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL11189094 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL302929 0.76 ATAD2 (0.70) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL1177334 0.74 HTT (0.45) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL1177336 0.74 HTT (0.45) ALDH1A1NPC1RAB9APIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093238-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-01-10 US disclosed
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-03-18 US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
EP-1881827-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2008-01-30 EP disclosed
WO-2006114606-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2006-11-02 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 (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-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors JAK1, MTOR, MOK ALDH1A1 1714/4885NPC1 3819/4885RAB9A 1458/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 ALDH1A1 1901/4885NPC1 4228/4885RAB9A 1693/4885

“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.