SCHEMBL20705145

SCHEMBL20705145

C1=Nc2ccncc2CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.43
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 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
SCHEMBL28172212 0.83 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL2437530 0.78 — —
SCHEMBL24718998 0.73 CYP3A4 (0.46) PDE3BPDE3A
SCHEMBL497374 0.71 NOS3 (0.43) —
SCHEMBL29369520 0.71 NOS3 (0.43) —
Hydrochloric Acid SCHEMBL27896272 0.70 NOS3 (0.42) —
SCHEMBL737232 0.70 — —
SCHEMBL30708247 0.68 SIGMAR1 (0.36) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
Formaldehyde SCHEMBL28297844 0.67 NOS3 (0.44) —
SCHEMBL224421 0.67 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602823-A As deubiquitinating enzymes(DUB)The spiral shell of inhibitor-condensation pyrrolidin derivatives 特殊治疗有限公司 2018-09-28 — — CN claimed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 — — CN claimed
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 — — WO 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-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
CN-108658974-A A kind of lactam analog compound and its preparation method and application 中国海洋大学 2018-10-16 — — CN disclosed
CN-108602823-A As deubiquitinating enzymes(DUB)The spiral shell of inhibitor-condensation pyrrolidin derivatives 特殊治疗有限公司 2018-09-28 — — CN disclosed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 — — CN 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 SIGMAR1 4713/4885CHRNB2 3796/4885CHRNA4 4521/4885
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 SIGMAR1 4713/4885CHRNB2 3796/4885CHRNA4 4521/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 SIGMAR1 4713/4885CHRNB2 3796/4885CHRNA4 4521/4885
US-20220056028-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 SIGMAR1 4713/4885CHRNB2 3796/4885CHRNA4 4521/4885
US-11905285-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 SIGMAR1 4713/4885CHRNB2 3796/4885CHRNA4 4521/4885

“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.

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