SCHEMBL8328225

SCHEMBL8328225

Cc1cc(N)nc(C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
NOS2 P35228 8/20 0.40
NOS3 P29474 6/20 0.40
NOS1 P29475 6/20 0.40
PRMT5 O14744 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 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
SCHEMBL7049656 0.79 NOS2 (0.40) BACE1NOS2NOS3NOS1PRMT5
SCHEMBL29951488 0.78 CYP1A2 (0.38) ERN1ALDH1A1
SCHEMBL6160521 0.78 CYP1A2 (0.38) ERN1ALDH1A1
SCHEMBL4598161 0.75 CYP2C19 (0.38) ERN1ALDH1A1
SCHEMBL18823103 0.75 ERN1 (0.33) ERN1ALDH1A1
SCHEMBL1250587 0.75 ALDH1A1 (0.41) NOS2NOS3NOS1ERN1ALDH1A1
SCHEMBL20705079 0.73 FBP1 (0.39) NOS2NOS3NOS1ALDH1A1
SCHEMBL20705082 0.73 FBP1 (0.39) NOS2NOS3NOS1ALDH1A1
SCHEMBL11808695 0.71 KDM4E (0.46) NOS2NOS3NOS1ALDH1A1
SCHEMBL29951145 0.71 NCF1 (0.37) NOS2NOS3NOS1ERN1ALDH1A1

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
EP-4494698-A2 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-01-22 EP disclosed
EP-3661922-B1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-10-23 EP disclosed
US-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-20 US disclosed
US-11905285-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-20 US disclosed
US-20220056028-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-24 US disclosed
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
EP-3661922-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Dyax Corp. (US) 2020-06-10 EP disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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 (5 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-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 BACE1 668/4885NOS2 754/4885NOS3 666/4885
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 BACE1 668/4885NOS2 754/4885NOS3 666/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 BACE1 668/4885NOS2 754/4885NOS3 666/4885
US-20220056028-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 BACE1 668/4885NOS2 754/4885NOS3 666/4885
US-11905285-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 BACE1 668/4885NOS2 754/4885NOS3 666/4885

“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.