SCHEMBL20580838

SCHEMBL20580838

COc1cc2c3c(C4=CCOCC4)nccc3n(C(=O)OC(C)(C)C)c2cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.42
TLR7 Q9NYK1 2/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
PLK1 P53350 2/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
APP P05067 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA7 P36544 2/20 0.35
EGFR P00533 1/20 0.34
AGTR2 P50052 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34

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
SCHEMBL20581181 0.89 TLR9 (0.44) TLR9TLR7CNR1CNR2SRD5A1
SCHEMBL20581147 0.87 TLR9 (0.47) TLR9TLR7CCNT1CDK9
SCHEMBL20580717 0.86 TTK (0.34) TLR9CCNT1CDK9PIK3CDPIK3R1
SCHEMBL20580730 0.84 TLR9 (0.45) TLR9TLR7CNR1CNR2SRD5A1
SCHEMBL20581146 0.81 TLR9 (0.47) TLR9TLR7CNR1CNR2SRD5A1
SCHEMBL20580566 0.81 TLR9 (0.47) TLR9TLR7CNR1CNR2SRD5A1
SCHEMBL20580802 0.81 TLR9 (0.47) TLR9TLR7CNR1CNR2SRD5A1
SCHEMBL20580553 0.81 PDPK1 (0.46) TLR9TLR7SRD5A1SRD5A2
SCHEMBL20580915 0.80 CNR1 (0.46) TLR9TLR7CNR1CNR2SRD5A1
SCHEMBL20580573 0.79 TLR9 (0.46) TLR9TLR7CNR1CNR2SRD5A1

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 7 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
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
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 4680/4885CNR1 4760/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TLR9 3921/4885TLR7 4680/4885CNR1 4760/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TLR9 3921/4885TLR7 4680/4885CNR1 4760/4885

“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.