SCHEMBL788066

SCHEMBL788066

Cc1csc2ccc(Br)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.60
CA2 P00918 1/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
PRF1 P14222 1/20 0.40
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 2/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.33
MIF P14174 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL31009686 1.00 CYP2A6 (0.60) CYP2A6CA2MAPTTP53PRF1
SCHEMBL165522 0.83 CYP2A6 (0.46) CYP2A6CA2MAPTTP53PRF1
SCHEMBL3164828 0.80 CYP2A6 (0.66) CYP2A6CA2MAPTTP53PRF1
SCHEMBL423281 0.78 CYP2A6 (0.64) CYP2A6CA2MAPTTP53LMNA
SCHEMBL23012016 0.77 CYP2A6 (0.56) CYP2A6CA2MAPTTP53PRF1
SCHEMBL5335374 0.75 CYP2A6 (0.60) CYP2A6CA2MAPTLMNAHPGD
SCHEMBL167540 0.75 CYP2A6 (1.00) CYP2A6CA2MAPTTP53LMNA
SCHEMBL18935918 0.75 CYP2A6 (0.60) CYP2A6CA2MAPTTP53CHRNA7
SCHEMBL2091136 0.75 CYP2A6 (0.60) CYP2A6CA2MAPTTP53CHRNA7
SCHEMBL4877866 0.75 CYP2A6 (0.60) CYP2A6CA2MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583870-B2 Azaheteroaryl compound and application thereof SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2026-03-24 US disclosed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 US disclosed
EP-4019521-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-06-29 EP disclosed
EP-4019521-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-06-29 EP disclosed
EP-3848373-A1 N-(1-((HETEROCYCLYL)METHYL)-1H-PYRAZOL-4-YL)-6-OXO-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[L,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER Phoenix Molecular Designs (CA) 2021-07-14 EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
WO-2021032004-A9 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-03-25 WO disclosed
EP-0217530-A1 Dihydropyridines ELI LILLY AND COMPANY (US) 1987-04-08 EP disclosed
CN-86106294-A The preparation method of dihydropyridines 1987-02-25 CN disclosed
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 US disclosed
US-4551468-A INDOLE, BENZOFURANS, BENZOTHIOPHENES PFIZER INC. (US) 1985-11-05 US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 EP disclosed
US-4410539-A Heterocyclic thromboxane synthetase inhibitors and pharmaceutical compositions containing them PFIZER INC. (US) 1983-10-18 US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 EP disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 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 (4 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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 CYP2A6 2124/4885CA2 3791/4885MAPT 2522/4885
US-12583870-B2 Azaheteroaryl compound and application thereof NR3C1, EED, EZH2 CYP2A6 495/4885CA2 2249/4885MAPT 4193/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP2A6 131/4885CA2 3989/4885MAPT 4627/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CYP2A6 131/4885CA2 3989/4885MAPT 4627/4885

“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.