SCHEMBL6979768

SCHEMBL6979768

N#Cc1cnn(-c2nn3c(c2Cl)CCCC3)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
XDH P47989 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34

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
SCHEMBL8432612 0.82 CYP11B1 (0.34) ALDH1A1CYP11B1CYP11B2
SCHEMBL7085805 0.81 XDH (0.34) ALDH1A1HPGDKDM4EHTTNPSR1
SCHEMBL17746820 0.81 ALDH1A1 (0.31) ALDH1A1HTTHSD17B10CYP11B1CYP11B2
SCHEMBL8434267 0.80 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL17791265 0.80 BCL6 (0.32) CYP11B1CYP11B2
SCHEMBL17800747 0.79 PTGS1 (0.31) CYP11B1CYP11B2
SCHEMBL17797940 0.79 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL17751552 0.78 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL17783712 0.78 CSNK2A1 (0.32) PKM
SCHEMBL8548920 0.78 CYP11B1 (0.31) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114453027-B Catalyst composition, application thereof and method for synthesizing pyraclonil 苏州大学 2023-12-15 CN disclosed
CN-114453027-A Catalyst composition, application thereof and synthetic method of pyraclonil 苏州大学 2022-05-10 CN disclosed
WO-2021023292-A1 SUBSTITUTED PYRAZOLYL PYRAZOLE BISAMIDE COMPOUND OR PESTICIDE ACCEPTABLE SALT OR COMPOSITION THEREOF, AND USE THEREOF 海利尔药业集团股份有限公司 2021-02-11 WO disclosed
CN-107108622-B Substituted pyrazolyl pyrazole derivatives and their use as herbicides 协友株式会社 2019-12-27 CN disclosed
EP-3248976-B1 SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVE AND USE OF SAME AS HERBICIDE KYOYU AGRI CO LTD (JP) 2019-11-06 EP disclosed
EP-3248977-B1 SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVE AND USE OF SAME AS HERBICIDE KYOYU AGRI CO LTD (JP) 2019-11-06 EP disclosed
EP-3248972-B1 SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVE AND USE OF SAME AS HERBICIDE KYOYU AGRI CO LTD (JP) 2019-11-06 EP disclosed
WO-2019196731-A1 SUBSTITUTED PYRAZOLYL PYRAZOLE SULFONYLUREA COMPOUND OR PESTICIDE ACCEPTABLE SALT OR COMPOSITION THEREOF AND USE THEREOF 海利尔药业集团股份有限公司 2019-10-17 WO disclosed
EP-3248973-B1 SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVE AND USE OF SAME AS HERBICIDE KYOYU AGRI CO LTD (JP) 2019-09-04 EP disclosed
US-10258039-B2 Substituted pyrazolylpyrazole derivative and use of same as herbicide KYOYU AGRI CO., LTD. (JP) 2019-04-16 US disclosed
US-5580986-A HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-12-03 US disclosed
US-5556986-A CHEMICAL INTERMEDIATES FOR PYRAZOLYLPYRAZOLES AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-09-17 US disclosed
EP-0643700-B1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-09-11 EP disclosed
WO-1996009303-A1 SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTION HOECHST SCHERING AGREVO GMBH (DE) 1996-03-28 WO disclosed
EP-0663913-A1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES Hoechst Schering AgrEvo GmbH (DE) 1995-07-26 EP disclosed
US-5405829-A Substituted pyrazolypyrazoles and their use as herbicides SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
EP-0643700-A1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES. SCHERING AG (DE) 1995-03-22 EP disclosed
WO-1994008999-A1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed
WO-1993010100-A1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-27 WO disclosed
EP-0542388-A1 New substituted pyrazolylpyrazoles, processes for their preparation, as well as intermediates, and their use as herbicides SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-19 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 (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-10258039-B2 Substituted pyrazolylpyrazole derivative and use of same as herbicide NOTUM, GOT2, DDT ALDH1A1 365/4885HPGD 403/4885KMT2A 1110/4885

“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.