SCHEMBL2519509

SCHEMBL2519509

Cc1nc(Br)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.47
CYP1A2 P05177 5/20 0.43
GPR3 P46089 1/20 0.43
ALDH1A1 P00352 9/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
NUDT1 P36639 1/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
STAT3 P40763 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL2170888 0.78 CYP2A6 (0.47) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10
SCHEMBL637928 0.77 CYP2A6 (0.50) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10
SCHEMBL9218101 0.77 CYP2A6 (0.50) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10
SCHEMBL30133425 0.77 ALDH1A1 (0.42) CYP2A6CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL29751038 0.77 ALDH1A1 (0.42) CYP2A6CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL901849 0.77 ALDH1A1 (0.42) CYP2A6CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL31583095 0.77 CYP1A2 (0.42) CYP2A6CYP1A2ALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL9433849 0.77 CYP2A6 (0.45) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL13730044 0.76 CYP2A6 (0.48) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL28363251 0.76 MAPT (0.50) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
CN-109153645-A Process for preparing 6-alkynyl-pyridine derivatives 勃林格殷格翰国际有限公司 2019-01-04 CN disclosed
CN-108341777-A Compound of isobioquin group and its application 四川科伦博泰生物医药股份有限公司 2018-07-31 CN disclosed
CN-102639529-B Isoxazoline derivative-based pesticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-08-19 CN disclosed
CN-101454288-B Benzofluoranthene compound and organic light-emitting device using the same CANON KK 2012-12-12 CN disclosed
US-8034944-B2 Benzofluoranthene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-10-11 US disclosed
US-20090278118-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-11-12 US disclosed
CN-101454288-A Benzofluoranthene compound and organic light-emitting device using the same CANON KK (JP) 2009-06-10 CN disclosed
WO-2008078824-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-07-03 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-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK CYP2A6 3696/4885CYP1A2 2016/4885GPR3 2325/4885
US-20090278118-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND XDH, XPO6, PAX3 CYP2A6 158/4885CYP1A2 96/4885GPR3 1673/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK CYP2A6 3696/4885CYP1A2 2016/4885GPR3 2325/4885

“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.