Sugi Predict

Sugi Predict / Compounds / SCHEMBL21355397

SCHEMBL21355397

SCHEMBL21355397

Nc1ccc(C2CC2)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR1F P30939 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ MCHR1 Q99705 7/20 0.34
▸ NOS3 P29474 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HBB P68871 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL18278876 0.79 MCHR1 (0.41) BACE1CHRNB2CHRNA4MCHR1LMNA
SCHEMBL25911277 0.78 PDK2 (0.45) ALOX5APFEN1NOS3NOS2KMT2A
SCHEMBL21355574 0.78 TAAR1 (0.38) HTR1DHTR1BHTR1FBACE1CHRNB2
SCHEMBL21355672 0.78 NOS3 (0.50) HTR1DHTR1BHTR1FBACE1CHRNB2
SCHEMBL21355535 0.78 FEN1 (0.40) HTR1DHTR1BHTR1FBACE1CHRNB2
SCHEMBL18549500 0.78 TAAR1 (0.32) TAAR1
Hydrochloric Acid SCHEMBL21752277 0.77 TAAR1 (0.31) TAAR1
SCHEMBL1119547 0.77 IKBKB (0.47) DRD2DRD3
Hydrochloric Acid SCHEMBL1513735 0.75 IKBKB (0.46) DRD2DRD3
Hydrochloric Acid SCHEMBL1514092 0.75 IKBKB (0.46) DRD2DRD3

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 14 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
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
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
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 — — WO 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 HTR1D 4215/4885HTR1B 3546/4885HTR1F 2989/4885
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HTR1D 4215/4885HTR1B 3546/4885HTR1F 2989/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 HTR1D 4215/4885HTR1B 3546/4885HTR1F 2989/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 HTR1D 4215/4885HTR1B 3546/4885HTR1F 2989/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HTR1D 4215/4885HTR1B 3546/4885HTR1F 2989/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HTR1D 4215/4885HTR1B 3546/4885HTR1F 2989/4885

“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.