SCHEMBL21408769

SCHEMBL21408769

Cc1coc(-c2ccnnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.41
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ S1PR3 Q99500 1/20 0.34
▸ WNT3A P56704 2/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ TACR3 P29371 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL24375506 0.79 TP53 (0.45) DDB1CRBNAOC3
SCHEMBL16229082 0.77 S1PR1 (0.37) S1PR1S1PR3PDE4B
SCHEMBL8233681 0.76 NPC1 (0.50) —
SCHEMBL17275708 0.76 ELANE (0.43) DDB1CRBNAOC3TGFBR1EDNRB
SCHEMBL8360176 0.74 S1PR1 (0.55) S1PR1S1PR3ALOX5AP
SCHEMBL17275734 0.74 DDB1 (0.47) S1PR1DDB1CRBNAOC3S1PR3
SCHEMBL12628651 0.73 S1PR1 (0.39) S1PR1
SCHEMBL3951956 0.72 ENPP3 (0.53) AOC3EDNRBEDNRAPDE4BHDAC1
SCHEMBL12571366 0.72 CYP1A2 (0.44) PDE4BHDAC1HDAC8HDAC6
SCHEMBL3546224 0.72 HDAC1 (0.46) S1PR1PDE4BHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 — — US disclosed
EP-3774779-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
CN-111836806-A Herbicidal compounds 先正达参股股份有限公司 2020-10-27 — — CN disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 — — 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 (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-20210053957-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 S1PR1 2900/4885DDB1 1409/4885CRBN 3988/4885

“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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