SCHEMBL20580717

SCHEMBL20580717

COc1cc2c3c(C4=CCOCC4)nccc3n(C(=O)OC(C)(C)C)c2cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
TLR9 Q9NR96 1/20 0.34
ATR Q13535 3/20 0.34
ATRIP Q8WXE1 2/20 0.34
PIK3CD O00329 2/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
SCN9A Q15858 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.32
CFTR P13569 1/20 0.32
ABL1 P00519 1/20 0.32
GCK P35557 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL20580838 0.86 TLR9 (0.42) CCNT1CDK9TLR9PIK3CDPIK3R1
SCHEMBL20580811 0.85 GRM1 (0.44) CCNT1CDK9TLR9GABRG2GABRB3
SCHEMBL20580706 0.81 NR1H2 (0.38) TLR9GABRG2GABRB3GABRA5
SCHEMBL20581099 0.80 TLR9 (0.39) CCNT1CDK9TLR9CFTRGABRG2
SCHEMBL20580702 0.79 TLR9 (0.39) CCNT1CDK9TLR9CFTRGABRG2
SCHEMBL20581236 0.78 TLR9 (0.35) CCNT1CDK9TLR9ATRATRIP
SCHEMBL20581226 0.78 TLR9 (0.38) TTKTLR9ATRCFTRGABRG2
SCHEMBL20580548 0.78 TLR9 (0.45) CCNT1CDK9TLR9ATRATRIP
SCHEMBL20581215 0.77 TLR9 (0.40) CCNT1CDK9TLR9PIK3CDPIK3CA
SCHEMBL20581041 0.76 TLR9 (0.37) TLR9PIK3CDPIK3CAPIK3CBPIK3CG

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 TTK 1880/4885CCNT1 1112/4885CDK9 449/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TTK 1880/4885CCNT1 1112/4885CDK9 449/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 TTK 1880/4885CCNT1 1112/4885CDK9 449/4885

“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.