SCHEMBL19471908

SCHEMBL19471908

NCNc1cc(Cl)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
FERMT2 Q96AC1 3/20 0.41
GRM4 Q14833 1/20 0.40
CSNK2A1 P68400 1/20 0.39
GSK3A P49840 1/20 0.39
MAPK10 P53779 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
CYP1A2 P05177 2/20 0.39
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP2D6 P10635 1/20 0.38
CCR1 P32246 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36

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
SCHEMBL26686386 0.80 EGFR (0.51) POLBGRM4GSK3AMAPK10RIOK2
SCHEMBL1642983 0.77
SCHEMBL1515619 0.77
SCHEMBL29807300 0.77
SCHEMBL30397391 0.77
SCHEMBL28632009 0.76 NUDT1 (0.51) POLBGRM4GSK3AMAPK10RIOK2
SCHEMBL31294545 0.76 IL1B (0.43) POLBGRM4GSK3AMAPK10RIOK2
Hydrochloric Acid SCHEMBL27965542 0.75 GRM4 (0.41) POLBGRM4GSK3AMAPK10RIOK2
Hydrochloric Acid SCHEMBL5729157 0.75 TYK2 (0.44) POLBGRM4GSK3AMAPK10RIOK2
SCHEMBL31240672 0.74 NOS2 (0.66) POLBCYP1A2CYP2D6MAPTNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224255-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 EP disclosed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 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 (2 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-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 POLB 3826/4885FERMT2 3345/4885GRM4 4393/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3826/4885FERMT2 3345/4885GRM4 4393/4885

“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.