SCHEMBL8979326

SCHEMBL8979326

CNN(C)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
KCNA5 P22460 1/20 0.41
ENPP2 Q13822 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CLK4 Q9HAZ1 4/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
GRM5 P41594 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CLK1 P49759 1/20 0.36
IDO1 P14902 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL151270 0.80 ALDH1A1 (0.48) KCNN4KCNA5ENPP2CLK4TSHR
SCHEMBL21649599 0.79 KCNN4 (0.42) KCNN4KCNA5ENPP2CLK4TSHR
SCHEMBL5019558 0.76 LOXL2 (0.47) ENPP2TSHRALDH1A1LMNA
SCHEMBL12060550 0.76 KCNA5 (0.49) KCNN4KCNA5ENPP2ADORA2AADORA2B
SCHEMBL8650222 0.76 ALDH1A1 (0.53) KCNN4KCNA5ENPP2TSHRALDH1A1
SCHEMBL11361207 0.75 MAPK14 (0.42) KCNN4KCNA5ALDH1A1MAPTGRM5
SCHEMBL14034729 0.74 KCNN4 (0.48) KCNN4KCNA5ENPP2CLK4TSHR
SCHEMBL15018261 0.74 KCNN4 (0.44) KCNN4KCNA5ENPP2CLK4TSHR
SCHEMBL154346 0.74 KCNN4 (0.41) KCNN4KCNA5ENPP2CLK4TSHR
SCHEMBL12574227 0.73 MAPK14 (0.46) KCNN4KCNA5ENPP2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 US disclosed
US-11230530-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-11203574-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-21 US disclosed
US-11192861-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 US disclosed
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 US disclosed
US-10689346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 US disclosed
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-10-24 US disclosed
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 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 (13 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-11203574-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KCNN4 3085/4885KCNA5 695/4885ENPP2 591/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KCNN4 3170/4885KCNA5 1049/4885ENPP2 816/4885
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD KCNN4 955/4885KCNA5 171/4885ENPP2 3771/4885
US-11192861-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KCNN4 3085/4885KCNA5 695/4885ENPP2 591/4885
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KCNN4 3085/4885KCNA5 695/4885ENPP2 591/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KCNN4 3170/4885KCNA5 1049/4885ENPP2 816/4885
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KCNN4 3170/4885KCNA5 1049/4885ENPP2 816/4885
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KCNN4 3085/4885KCNA5 695/4885ENPP2 591/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KCNN4 2528/4885KCNA5 610/4885ENPP2 632/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KCNN4 3170/4885KCNA5 1049/4885ENPP2 816/4885
US-11230530-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KCNN4 3140/4885KCNA5 1107/4885ENPP2 830/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KCNN4 2528/4885KCNA5 610/4885ENPP2 632/4885
US-10689346-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KCNN4 3170/4885KCNA5 1049/4885ENPP2 816/4885

“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.