SCHEMBL3663450

SCHEMBL3663450

COc1cc2sc(N)nc2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 2/20 0.51
STING1 Q86WV6 1/20 0.49
SCD O00767 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
FTO Q9C0B1 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PI4KA P42356 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
PIP5K1C O60331 1/20 0.43

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
SCHEMBL12235989 0.93 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL29513817 0.93 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL31114638 0.86 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9722790 0.86 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
Valine SCHEMBL3663448 0.83 STING1 (0.56) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11685051 0.81 CYP3A4 (0.68) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL7679151 0.80 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL29741739 0.80 ILK (0.56) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5707550 0.80 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2678487 0.80 ILK (0.56) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039809-A2 2-Amino-5-halogen-benzothiazoles, process for preparing them and medicines containing them Dr. Karl Thomae GmbH (DE) 1981-11-18 EP claimed
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2025-07-24 US disclosed
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2025-03-04 US disclosed
US-20250019353-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2025-01-16 US disclosed
EP-4188541-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-12-25 EP disclosed
CN-118834175-A Benzothiazacycloalkanes Heptatriene compounds use thereof as bile acid modulators 阿尔比里奥公司 2024-10-25 CN disclosed
US-12060338-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-08-13 US disclosed
CN-114761080-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
CN-113453753-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2024-02-08 US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 US disclosed
EP-2351744-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE Shionogi & Co., Ltd. (JP) 2011-08-03 EP disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 WO disclosed
EP-0039809-A2 2-Amino-5-halogen-benzothiazoles, process for preparing them and medicines containing them Dr. Karl Thomae GmbH (DE) 1981-11-18 EP disclosed
EP-0039809-A2 2-Amino-5-halogen-benzothiazoles, process for preparing them and medicines containing them Dr. Karl Thomae GmbH (DE) 1981-11-18 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 (7 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-12060338-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 CYP3A4 366/4885CYP1A2 283/4885CYP2C19 306/4885
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, LIPA CYP3A4 741/4885CYP1A2 1355/4885CYP2C19 1567/4885
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2C19 3007/4885
US-20250019353-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 CYP3A4 366/4885CYP1A2 283/4885CYP2C19 306/4885
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CYP3A4 3718/4885CYP1A2 3102/4885CYP2C19 3571/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK CYP3A4 1308/4885CYP1A2 1474/4885CYP2C19 2160/4885
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2C19 3007/4885

“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.