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.