SCHEMBL20580940

SCHEMBL20580940

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
TLR9 Q9NR96 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
GPR119 Q8TDV5 1/20 0.34
PIK3CA P42336 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
TNF P01375 4/20 0.33
LITAF Q99732 4/20 0.33
DPP4 P27487 1/20 0.32
PIK3CD O00329 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
NNMT P40261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NSD2 O96028 1/20 0.31

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
SCHEMBL20581057 0.85 GABRG2 (0.48) GABRG2GABRB3GABRA5TLR9GABRA1
SCHEMBL28372124 0.84 DPP4 (0.35) DPP4NNMTSMN1; SMN2
SCHEMBL20581212 0.83 GABRG2 (0.43) GABRG2GABRB3GABRA5TLR9GABRA1
SCHEMBL20580550 0.81 GABRG2 (0.43) GABRG2GABRB3GABRA5TLR9GABRA1
SCHEMBL20580872 0.80 TLR9 (0.49) TLR9SMN1; SMN2
SCHEMBL20581055 0.80 TLR9 (0.39) GABRG2GABRB3GABRA5TLR9GABRA1
SCHEMBL20580903 0.78 EHMT2 (0.50) TLR9EHMT2NSD2
SCHEMBL20581099 0.77 TLR9 (0.39) GABRG2GABRB3GABRA5TLR9GABRA1
SCHEMBL20580702 0.76 TLR9 (0.39) GABRG2GABRB3GABRA5TLR9GABRA1
SCHEMBL20581226 0.76 TLR9 (0.38) GABRG2GABRB3GABRA5TLR9GABRA1

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.