SCHEMBL2443645

SCHEMBL2443645

Nc1ccnc(-c2ccnnc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ DHFR P00374 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ GRB2 P62993 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31

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
SCHEMBL1018167 0.78 NPC1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20743671 0.77 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2666361 0.77 S1PR1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27344405 0.77 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27754726 0.76 HSP90AA1 (0.42) IRAK4GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL11514438 0.76 NPC1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29933915 0.76 CYP2A6 (0.62) MKNK1MKNK2CYP2A6DYRK1A
SCHEMBL4631413 0.76 CYP2A6 (0.62) MKNK1MKNK2CYP2A6DYRK1A
SCHEMBL20744163 0.74 CYP2A6 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30462066 0.74 HSP90AA1 (0.40) IRAK4CYP2A6ADORA2BDYRK1AALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032640-B Herbicidal compounds 先正达参股股份有限公司 2023-08-08 — — CN disclosed
US-11618743-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-04-04 — — US disclosed
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2022-04-28 — — US disclosed
EP-3923727-A1 PRE-HARVEST DESICCATION METHOD Syngenta Crop Protection AG (CH) 2021-12-22 — — EP disclosed
EP-3668855-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-10 — — EP disclosed
CN-113423271-A Pre-harvest drying method 先正达农作物保护股份公司 2021-09-21 — — CN disclosed
US-20210009561-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-14 — — US disclosed
WO-2020164971-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
EP-3668855-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-06-24 — — EP disclosed
CN-111032640-A Herbicidal compounds 先正达参股股份有限公司 2020-04-17 — — CN disclosed
WO-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 — — WO disclosed
WO-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 — — 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-20210009561-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 IRAK4 4530/4885GABRA1 969/4885GABRG2 720/4885
US-11618743-B2 Herbicidal compounds DDT, ACHE, GSTO1 IRAK4 4530/4885GABRA1 969/4885GABRG2 720/4885
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD GMDS, TREH, DAD1 IRAK4 4866/4885GABRA1 4264/4885GABRG2 4362/4885

“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.

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