SCHEMBL84829

SCHEMBL84829

COc1cccc2nc(N)sc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
DCPS Q96C86 1/20 0.49
ALDH1A1 P00352 4/20 0.46
NQO2 P16083 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TLR8 Q9NR97 1/20 0.43
MCHR1 Q99705 1/20 0.43
ASH1L Q9NR48 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL29013277 0.83 AMY1A (0.48) CYP3A4TDP1DCPSALDH1A1NQO2
SCHEMBL30311921 0.83 AMY1A (0.48) CYP3A4TDP1DCPSALDH1A1NQO2
SCHEMBL30967515 0.83 ALDH1A1 (0.48) CYP3A4TDP1ALDH1A1KDM4ETLR8
SCHEMBL29013274 0.81 ALDH1A1 (0.44) CYP3A4TDP1DCPSALDH1A1GAA
SCHEMBL30311983 0.81 ALDH1A1 (0.44) CYP3A4TDP1DCPSALDH1A1GAA
SCHEMBL30967498 0.80 TLR8 (0.49) CYP3A4ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL31621276 0.80 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1GAAMGAM
SCHEMBL1018687 0.80 F2RL3 (0.40) CYP3A4TDP1ALDH1A1CYP1A2GAA
SCHEMBL21186388 0.80 NPC1 (0.51) CYP3A4TDP1ALDH1A1KDM4EASH1L
SCHEMBL1420071 0.80 SCN9A (0.48) CYP3A4TDP1ALDH1A1CYP1A2GAA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors FORSCHUNGSVERBUND BERLIN E.V. (DE) 2025-03-11 US disclosed
EP-3802530-B1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN EV (DE) 2024-05-29 EP disclosed
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2022-10-20 US disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2015-05-07 US disclosed
US-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2015-05-07 US disclosed
CN-104478828-A 2-amino-7-substituted benzothiazole compound as well as preparation method and application thereof ZHANGZHOU PIEN TZE HUANG PHARM 2015-04-01 CN disclosed
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
EP-2046896-A2 COLOURED ORGANIC ELECTROPHORETIC PARTICLES Ciba Holding Inc. (CH) 2009-04-15 EP disclosed
WO-2008003604-A2 COLOURED ORGANIC ELECTROPHORETIC PARTICLES CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
WO-2007109120-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2007-09-27 WO disclosed
EP-0721973-B1 Process for the preparation of benzothiazolylazoanilines BASF AG (DE) 1997-08-27 EP disclosed
US-5597905-A Preparation of benzothiazolylazoanilines BASF AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
EP-0721973-A1 Process for the preparation of benzothiazolylazoanilines BASF AKTIENGESELLSCHAFT (DE) 1996-07-17 EP 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 (5 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-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 CYP3A4 4416/4885TDP1 1412/4885DCPS 3052/4885
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors PIK3CA, PIK3CD, PIK3C2B CYP3A4 1022/4885TDP1 478/4885DCPS 1931/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 CYP3A4 4416/4885TDP1 1412/4885DCPS 3052/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK CYP3A4 4207/4885TDP1 2691/4885DCPS 3575/4885
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2B CYP3A4 1022/4885TDP1 478/4885DCPS 1931/4885

“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.