SCHEMBL21354973

SCHEMBL21354973

Cc1cc2nc(CCl)cn2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.38
KDM4E B2RXH2 8/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL21355827 0.81 DRD2 (0.36) KDM4ETDP1ALDH1A1POLBL3MBTL1
SCHEMBL16797754 0.79 KDM4E (0.32) KDM4ETDP1ALDH1A1POLBL3MBTL1
SCHEMBL24163152 0.78 HDAC1 (0.38) KLKB1KDM4EALDH1A1L3MBTL1NPC1
SCHEMBL21355639 0.76 KLKB1 (0.41) KLKB1KDM4ETDP1ALDH1A1POLB
SCHEMBL8172945 0.76 KDM4E (0.63) KDM4ETDP1ALDH1A1POLBL3MBTL1
SCHEMBL23530804 0.76 KDM4E (0.35) KDM4ETDP1ALDH1A1POLBL3MBTL1
SCHEMBL25614068 0.73 KDM4E (0.43) KDM4ETDP1ALDH1A1POLBL3MBTL1
SCHEMBL8174291 0.73 NPC1 (0.50) KDM4EALDH1A1POLBL3MBTL1NPC1
SCHEMBL21354930 0.73 KDM4E (0.37) KLKB1KDM4ETDP1ALDH1A1POLB
SCHEMBL974491 0.72 METTL3 (0.44) KDM4ETDP1ALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 US disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 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
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 EP 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
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO 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 (6 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 KLKB1 1/4885KDM4E 738/4885TDP1 3106/4885
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 738/4885TDP1 3106/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 738/4885TDP1 3106/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 738/4885TDP1 3106/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 738/4885TDP1 3106/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 738/4885TDP1 3106/4885

“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.