SCHEMBL4187399

SCHEMBL4187399

CNc1ccc2ccsc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
EGFR P00533 2/20 0.38
CHRNA7 P36544 4/20 0.35
HTR3A P46098 3/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
BUB1 O43683 1/20 0.34
CYP2A6 P11509 2/20 0.33
HTR2C P28335 2/20 0.33
CA2 P00918 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2656510 0.83 CYP2A6 (0.46) EGFRCYP2A6HTR2CCA2HTR2A
SCHEMBL29472298 0.83 CYP2A6 (0.46) EGFRCYP2A6HTR2CCA2HTR2A
SCHEMBL29433439 0.79 CYP2A6 (0.37) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL28702492 0.79 CYP2A6 (0.37) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL10747755 0.79 ALDH1A1 (0.36) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL28699155 0.76 BRPF1 (0.45) CA2KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL29469356 0.76 BRPF1 (0.45) CA2KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19660760 0.75 ALDH1A1 (0.55) SLC6A2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8788698 0.72 KMT2A (0.53) BUB1KDM4EMEN1NPC1ALDH1A1
SCHEMBL21160426 0.72 CYP2D6 (0.46) CHRNA7HTR3AHTR3EHTR3BCHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
EP-3582783-B1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2023-06-07 EP disclosed
WO-2023068852-A1 BENZOTHIOPHENE-1,1-DIOXIDE DERIVATIVE COMPOUND AS STAT3 INHIBITOR, AND USE THEREOF 주식회사 프롬바이오 2023-04-27 WO disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
EP-4001279-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS Enanta Pharmaceuticals, Inc. (US) 2022-05-25 EP disclosed
US-10822343-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-03 US disclosed
US-20200123160-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2020-04-23 US disclosed
EP-3632919-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION Bristol-Myers Squibb Company (US) 2020-04-08 EP disclosed
EP-3243826-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2019-10-30 EP disclosed
US-8927688-B2 PAR4 agonist peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-06 US disclosed
US-8927688-B2 PAR4 agonist peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-06 US disclosed
WO-2013163248-A1 PAR4 AGONIST PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-31 WO disclosed
WO-2013163279-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-31 WO disclosed
US-20130289238-A1 PAR4 AGONIST PEPTIDES BRISTOL-MYERS SQUIBB COMPANY 2013-10-31 US disclosed
US-20130289238-A1 PAR4 AGONIST PEPTIDES BRISTOL-MYERS SQUIBB COMPANY 2013-10-31 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 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 (6 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG APP 645/4885EGFR 1805/4885CHRNA7 4593/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R APP 2275/4885EGFR 505/4885CHRNA7 113/4885
US-20200123160-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, TMPRSS4, F2R APP 1080/4885EGFR 1317/4885CHRNA7 2297/4885
US-20130289238-A1 PAR4 AGONIST PEPTIDES F2RL3, F2R, F2RL1 APP 594/4885EGFR 653/4885CHRNA7 1435/4885
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, TMPRSS4 APP 1076/4885EGFR 1329/4885CHRNA7 2299/4885
US-10822343-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation F2RL3, TMPRSS4, F2R APP 1080/4885EGFR 1317/4885CHRNA7 2297/4885

“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.