SCHEMBL20580915

SCHEMBL20580915

COc1cc2c3c(OC4CCOCC4)nccc3n(C(=O)OC(C)(C)C)c2cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TLR9 Q9NR96 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
APP P05067 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
GRM4 Q14833 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL20580566 0.88 TLR9 (0.47) CNR1CNR2TLR9TLR7SRD5A1
SCHEMBL20580835 0.86 GRM4 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL20581126 0.85 EHMT2 (0.46)
SCHEMBL20580965 0.84 TLR9 (0.48) CNR1CNR2TLR9TLR7IRAK1
SCHEMBL20581146 0.83 TLR9 (0.47) CNR1CNR2TLR9TLR7SRD5A1
SCHEMBL20580937 0.83 TLR9 (0.45) CNR1CNR2TLR9TLR7IRAK1
SCHEMBL20580802 0.82 TLR9 (0.47) CNR1CNR2TLR9TLR7SRD5A1
SCHEMBL20580573 0.81 TLR9 (0.46) CNR1CNR2TLR9TLR7SRD5A1
SCHEMBL20580838 0.80 TLR9 (0.42) CNR1CNR2TLR9TLR7SRD5A1
SCHEMBL20580730 0.79 TLR9 (0.45) CNR1CNR2TLR9TLR7SRD5A1

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
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 US disclosed
WO-2018226998-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-13 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-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors EHMT2, EHMT1, EZH2 CNR1 4760/4885CNR2 4797/4885TLR9 3921/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 CNR1 4760/4885CNR2 4797/4885TLR9 3921/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 CNR1 4760/4885CNR2 4797/4885TLR9 3921/4885

“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.