SCHEMBL20743671

SCHEMBL20743671

Oc1ccnc(-c2ccnnc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ HCAR2 Q8TDS4 1/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL2679197 0.78 NPC1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27344405 0.77 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2666361 0.77 S1PR1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2443645 0.77 IRAK4 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20743476 0.77 TRPV3 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27877200 0.76 CYP2A6 (0.62) KMT2AMAPTCYP1A2SMN1; SMN2CYP2A6
SCHEMBL20744163 0.74 CYP2A6 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1163789 0.74 NPC1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20743783 0.73 ABCG2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
Bromide SCHEMBL30271836 0.72 NPC1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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 15 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
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
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
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-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 — — 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 GABRA1 969/4885GABRG2 720/4885GABRB3 745/4885
US-11618743-B2 Herbicidal compounds DDT, ACHE, GSTO1 GABRA1 969/4885GABRG2 720/4885GABRB3 745/4885
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD GMDS, TREH, DAD1 GABRA1 4264/4885GABRG2 4362/4885GABRB3 4331/4885

“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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