Sugi Predict

Sugi Predict / Compounds / SCHEMBL20580702

SCHEMBL20580702

SCHEMBL20580702

COc1cc2c3c(C)nccc3n(C(=O)OC(C)(C)C)c2cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.39
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA1 P14867 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CFTR P13569 1/20 0.34
▸ GPR119 Q8TDV5 3/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ CCNT1 O60563 3/20 0.32
▸ CDK9 P50750 3/20 0.32
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ SMPD3 Q9NY59 1/20 0.31
▸ F13A1 P00488 1/20 0.31
▸ TGM2 P21980 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
SCHEMBL20581099 0.90 TLR9 (0.39) TLR9GABRG2GABRB3GABRA5GABRA1
SCHEMBL20581226 0.88 TLR9 (0.38) TLR9GABRG2GABRB3GABRA5GABRA1
SCHEMBL20581041 0.86 TLR9 (0.37) TLR9GABRG2GABRB3GABRA5GABRA1
SCHEMBL20581263 0.85 TLR9 (0.38) TLR9GABRG2GABRB3GABRA5GABRA1
SCHEMBL20581215 0.85 TLR9 (0.40) TLR9GABRG2GABRB3GABRA5GABRA1
SCHEMBL20581145 0.85 TLR9 (0.36) TLR9GABRG2GABRB3GABRA5GABRA1
SCHEMBL20580548 0.84 TLR9 (0.45) TLR9GABRG2GABRB3GABRA5CFTR
SCHEMBL20581180 0.83 PDE4B (0.37) TLR9GABRG2GABRB3GABRA5CFTR
SCHEMBL20580529 0.83 CGAS (0.37) TLR9GABRG2GABRB3GABRA5GABRA1
SCHEMBL20580706 0.83 NR1H2 (0.38) TLR9GABRG2GABRB3GABRA5GPR119

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 5 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
CN-110997671-A Azaindole compounds as histone methyltransferase inhibitors 全球血液疗法股份有限公司 2020-04-10 — — CN 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 3921/4885GABRG2 2449/4885GABRB3 1763/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TLR9 3921/4885GABRG2 2449/4885GABRB3 1763/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TLR9 3921/4885GABRG2 2449/4885GABRB3 1763/4885

“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.