SCHEMBL19661983

SCHEMBL19661983

CCOC(=O)c1oc2ccc(C)cc2c1C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.66
HIF1A Q16665 9/20 0.65
PARG Q86W56 2/20 0.58
KDM4E B2RXH2 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
AHR P35869 1/20 0.57
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL4593787 0.88 KDM4E (0.70) KCNH2HIF1APARGKDM4EL3MBTL1
SCHEMBL20893358 0.88 L3MBTL1 (0.61) KCNH2HIF1APARGKDM4EL3MBTL1
SCHEMBL4629108 0.87 PLK1 (0.54) KCNH2HIF1APARGKDM4EL3MBTL1
SCHEMBL10897719 0.87 PTGS2 (0.59) KCNH2HIF1AKDM4EL3MBTL1AHR
SCHEMBL1474090 0.87 MEN1 (0.60) HIF1APARGKDM4EAHRUSP2
SCHEMBL20893375 0.85 MAPT (0.62) HIF1APARGKDM4EL3MBTL1AHR
SCHEMBL16732898 0.85 KDM4E (0.62) HIF1APARGKDM4EL3MBTL1AHR
SCHEMBL20893393 0.85 PLK1 (0.56) KCNH2HIF1APARGKDM4EL3MBTL1
SCHEMBL788918 0.85 KCNH2 (0.67) KCNH2HIF1APARGKDM4EAHR
SCHEMBL30136795 0.85 MAPT (0.62) HIF1APARGKDM4EL3MBTL1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641908-B Five-membered heterocyclic [3,4-d ] pyridazinone compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-11-19 CN disclosed
US-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-05-09 US disclosed
US-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-05-09 US disclosed
EP-3470415-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-04-17 EP disclosed
EP-3470415-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-04-17 EP disclosed
CN-109641908-A Five-ring heterocycles simultaneously [3,4-d] pyridazinone compound, preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2019-04-16 CN disclosed
CN-107417687-A Five-ring heterocycles simultaneously [3,4 d] pyridazinone compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2017-12-01 CN disclosed
WO-2017202343-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 中国科学院上海药物研究所 2017-11-30 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 (1 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-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF FGFR1, FGFR3, FGFR4 KCNH2 1512/4885HIF1A 2686/4885PARG 3497/4885

“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.