SCHEMBL20580903

SCHEMBL20580903

COc1cc2c(cn1)c1cc(OC)c(OCCCN3CCCC3)cc1n2C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 13/20 0.50
NSD2 O96028 1/20 0.50
EHMT1 Q9H9B1 11/20 0.46
FGFR2 P21802 1/20 0.42
SPIN1 Q9Y657 2/20 0.42
DNMT1 P26358 1/20 0.42
TLR9 Q9NR96 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
KMT5A Q9NQR1 1/20 0.41

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
SCHEMBL20580949 0.89 EHMT2 (0.50) EHMT2NSD2EHMT1FGFR2SPIN1
SCHEMBL28372514 0.88 EHMT2 (0.50) EHMT2EHMT1SPIN1DNMT1TLR9
SCHEMBL20580859 0.81 EHMT2 (0.50) EHMT2NSD2EHMT1FGFR2
SCHEMBL20581143 0.79 EHMT2 (0.47) EHMT2NSD2EHMT1FGFR2TLR9
SCHEMBL20580872 0.79 TLR9 (0.49) TLR9TLR7
SCHEMBL20580940 0.78 GABRG2 (0.41) EHMT2NSD2TLR9
SCHEMBL20581642 0.75 EHMT2 (0.38) EHMT2NSD2EHMT1TLR9TLR7
SCHEMBL20581126 0.75 EHMT2 (0.46) EHMT2NSD2EHMT1FGFR2DNMT1
SCHEMBL20581223 0.74 GABRG2 (0.40) EHMT2NSD2TLR9TLR7
SCHEMBL20580562 0.70 GABRG2 (0.38) EHMT2NSD2TLR9TLR7

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 EHMT2 1/4885NSD2 96/4885EHMT1 2/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 EHMT2 1/4885NSD2 96/4885EHMT1 2/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 EHMT2 1/4885NSD2 96/4885EHMT1 2/4885

“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.