SCHEMBL20580562

SCHEMBL20580562

CCN(C)CCCOc1cc2c(cc1OC)c1cnccc1n2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
SGMS2 Q8NHU3 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
QPCT Q16769 2/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
EHMT2 Q96KQ7 2/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
NSD2 O96028 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDGFRB P09619 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL20581384 0.88 QPCT (0.33) SGMS2QPCTEHMT2MAOAMAOB
SCHEMBL20581223 0.88 GABRG2 (0.40) GABRG2GABRB3GABRA5SGMS2GABRA1
SCHEMBL28373233 0.88 MAOB (0.36) QPCTMAOAMAOB
SCHEMBL20580563 0.83 EHMT2 (0.35) SGMS2GPR119TLR9TLR7EHMT2
SCHEMBL20581796 0.81 QPCT (0.37) QPCTPDGFRB
SCHEMBL20580774 0.79 SUV39H2 (0.41) QPCTTLR9TLR7EHMT2SUV39H2
SCHEMBL20581212 0.79 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL20581336 0.76 EHMT2 (0.41) SGMS2GPR119QPCTTLR9TLR7
SCHEMBL20581378 0.76 SGMS2 (0.35) GABRG2GABRB3GABRA5SGMS2GABRA1
SCHEMBL20581368 0.75 KDM4E (0.38) QPCTEHMT2PDGFRB

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
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 GABRG2 2449/4885GABRB3 1763/4885GABRA5 1721/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 GABRG2 2449/4885GABRB3 1763/4885GABRA5 1721/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 GABRG2 2449/4885GABRB3 1763/4885GABRA5 1721/4885

“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.