Sugi Predict

Sugi Predict / Compounds / SCHEMBL20580937

SCHEMBL20580937

SCHEMBL20580937

COc1cc2c3c(C4CCC4)nccc3n(C(=O)OC(C)(C)C)c2cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 4/20 0.45
▸ TLR7 Q9NYK1 2/20 0.45
▸ SRD5A1 P18405 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ IGF1R P08069 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ PLK1 P53350 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AGTR2 P50052 1/20 0.37
▸ TRPC6 Q9Y210 1/20 0.36

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
SCHEMBL20580965 0.97 TLR9 (0.48) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20580802 0.86 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20580566 0.85 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20581146 0.85 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20581043 0.83 EHMT2 (0.36) TLR9TLR7CNR1PDE4APDE4B
SCHEMBL20580573 0.83 TLR9 (0.46) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20581180 0.83 PDE4B (0.37) TLR9PDE4APDE4BPDE4CPDE4D
SCHEMBL30448076 0.83 PDE4B (0.37) TLR9PDE4APDE4BPDE4CPDE4D
SCHEMBL20580915 0.83 CNR1 (0.46) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20580730 0.82 TLR9 (0.45) TLR9TLR7SRD5A1SRD5A2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 — — EP disclosed
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-12-02 — — US disclosed
US-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-09-07 — — US disclosed
EP-3634962-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
WO-2018226998-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-13 — — WO disclosed
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 — — US 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-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors EHMT2, EHMT1, EZH2 TLR9 3921/4885TLR7 4680/4885SRD5A1 3955/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TLR9 3921/4885TLR7 4680/4885SRD5A1 3955/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TLR9 3921/4885TLR7 4680/4885SRD5A1 3955/4885

“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.