SCHEMBL2271697

SCHEMBL2271697

COC(=O)c1cc2sc(NC(C)C)nc2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ATAD2 Q6PL18 1/20 0.41
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NR2F2 P24468 1/20 0.40
MCL1 Q07820 1/20 0.40
KLF5 Q13887 1/20 0.40

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
SCHEMBL4695319 0.86 MAPK14 (0.42) RAB9ANPC1SMN1; SMN2ATAD2HTT
SCHEMBL17901867 0.75 DYRK1A (0.40) RAB9ANPC1SMN1; SMN2PIK3CAPIK3CB
SCHEMBL2271723 0.75 MAPK14 (0.43) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL2273344 0.74 MAPK14 (0.40) RAB9ANPC1PIK3CAPI4KBHTT
SCHEMBL2273200 0.74 MAPK14 (0.40) RAB9ANPC1SMN1; SMN2PIK3CAATAD2
SCHEMBL2277402 0.73 NPC1 (0.41) RAB9ANPC1SMN1; SMN2PIK3CAPIK3CB
SCHEMBL4499710 0.73 MAPK14 (0.47) RAB9ANPC1SMN1; SMN2ATAD2HTT
SCHEMBL4500018 0.71 NPC1 (0.47) RAB9ANPC1SMN1; SMN2ATAD2HTT
SCHEMBL17801295 0.69 DYRK1A (0.54) RAB9ANPC1SMN1; SMN2PIK3CAPIK3CG
SCHEMBL2277350 0.69 CSNK1D (0.50) RAB9ANPC1SMN1; SMN2ATAD2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
EP-2266981-B1 Benzothiazole compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-07-06 EP disclosed
EP-2266981-B1 Benzothiazole compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-07-06 EP disclosed
WO-2016087417-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
EP-2266981-A2 Benzothiazole compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
EP-2266981-A2 Benzothiazole compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
EP-1910348-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-04-16 EP disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 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 (3 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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 RAB9A 263/4885NPC1 2175/4885SMN1; SMN2 3443/4885
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 RAB9A 524/4885NPC1 2214/4885SMN1; SMN2 2216/4885
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors GRK2, MAPK1, GRK4 RAB9A 345/4885NPC1 2260/4885SMN1; SMN2 3578/4885

“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.