SCHEMBL20549323

SCHEMBL20549323

COc1ccc(C#N)c(CNC=O)c1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
KLKB1 P03952 7/20 0.42
F11 P03951 1/20 0.41
HTR2A P28223 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
IDH1 O75874 5/20 0.37
AR P10275 3/20 0.37

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
SCHEMBL17232476 0.79 ALDH1A1 (0.46) IMPDH2IMPDH1HTR2AALDH1A1KDM4E
SCHEMBL17221463 0.77 ALDH1A1 (0.45) IMPDH2IMPDH1HTR2AALDH1A1KDM4E
SCHEMBL29911448 0.77 ALDH1A1 (0.49) IMPDH2IMPDH1HTR2AALDH1A1KDM4E
SCHEMBL23088012 0.77 ALDH1A1 (0.49) IMPDH2IMPDH1HTR2AALDH1A1KDM4E
SCHEMBL23088260 0.75 KDM4E (0.50) IMPDH2IMPDH1HTR2AALDH1A1KDM4E
SCHEMBL17229331 0.75 AR (0.46) IMPDH2IMPDH1HTR2AALDH1A1KDM4E
SCHEMBL27033473 0.74 ALDH1A1 (0.43) IMPDH2IMPDH1KLKB1F11ALDH1A1
SCHEMBL9723166 0.72 ALDH1A1 (0.53) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
Zinc Ion SCHEMBL30711601 0.71 ALDH1A1 (0.40) IMPDH2IMPDH1KLKB1F11ALDH1A1
SCHEMBL29174266 0.71 ALDH1A1 (0.40) IMPDH2IMPDH1KLKB1F11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 US disclosed
US-10611758-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-04-07 US disclosed
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS DRI UK LP (KY) 2019-10-31 US disclosed
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors DRI UK LP (KY) 2019-10-03 US disclosed
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-30 US disclosed
US-20180319782-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS DRI UK LP (KY) 2018-11-08 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 (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-20180319782-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 IMPDH2 4386/4885IMPDH1 3992/4885KLKB1 1/4885
US-10611758-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 IMPDH2 4449/4885IMPDH1 4083/4885KLKB1 1/4885
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 IMPDH2 4386/4885IMPDH1 3992/4885KLKB1 1/4885
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 IMPDH2 4515/4885IMPDH1 4170/4885KLKB1 1/4885
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 IMPDH2 4449/4885IMPDH1 4083/4885KLKB1 1/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 IMPDH2 4515/4885IMPDH1 4170/4885KLKB1 1/4885

“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.