SCHEMBL21355331

SCHEMBL21355331

CCOC(=O)c1c[nH]nc1CC#N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 8/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 9/20 0.42
MAPT P10636 6/20 0.42
HSD17B10 Q99714 4/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
PDE4D Q08499 1/20 0.38

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
SCHEMBL21355777 0.83 KMT2A (0.46) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL3356162 0.82 KMT2A (0.49) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL16167214 0.81 KMT2A (0.40) KMT2AMEN1KDM4EGLAATM
SCHEMBL27086035 0.81 KMT2A (0.47) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL5951329 0.81 KMT2A (0.47) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL20268131 0.80 KMT2A (0.46) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL2820788 0.80 HSP90AA1 (0.52) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL29906664 0.79 KDM5B (0.35)
SCHEMBL25289020 0.78 KMT2A (0.45) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL31503052 0.78 KMT2A (0.45) KMT2AMEN1KDM4ETSHRALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008780-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2026-01-08 US disclosed
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 US disclosed
EP-4536350-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES Nodthera Limited (GB) 2025-04-16 EP disclosed
WO-2023240134-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-12-14 WO disclosed
WO-2023240134-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-12-14 WO disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 EP disclosed
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 CN disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-08-04 US disclosed
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-08-04 US disclosed
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 US disclosed
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO disclosed
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 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 (7 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KMT2A 1382/4885MEN1 686/4885KDM4E 738/4885
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KMT2A 1382/4885MEN1 686/4885KDM4E 738/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KMT2A 1382/4885MEN1 686/4885KDM4E 738/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KMT2A 1382/4885MEN1 686/4885KDM4E 738/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KMT2A 1382/4885MEN1 686/4885KDM4E 738/4885
US-20260008780-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NOD1, NLRP3, CASP1 KMT2A 3161/4885MEN1 1374/4885KDM4E 3952/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KMT2A 1382/4885MEN1 686/4885KDM4E 738/4885

“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.