SCHEMBL20580872

SCHEMBL20580872

COc1cc2c(cn1)c1cc(OC)c(OCc3ccccc3)cc1n2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.49
TLR7 Q9NYK1 2/20 0.49
SRD5A1 P18405 2/20 0.45
SRD5A2 P31213 2/20 0.45
EGFR P00533 1/20 0.42
PLK1 P53350 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL20580546 0.90 TLR9 (0.48) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20580578 0.88 TLR9 (0.48) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20581089 0.86 TLR9 (0.49) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20580853 0.86 TLR9 (0.50) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20580961 0.83 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20580566 0.81 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20581146 0.81 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20580802 0.80 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2EGFR
SCHEMBL20580940 0.80 GABRG2 (0.41) TLR9SMN1; SMN2
SCHEMBL20580573 0.79 TLR9 (0.46) TLR9TLR7SRD5A1SRD5A2EGFR

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 4680/4885SRD5A1 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.