SCHEMBL21201583

SCHEMBL21201583

Cc1csc(Cn2ccccc2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.39
METAP2 P50579 1/20 0.36
KLKB1 P03952 6/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KLK1 P06870 4/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL23343606 0.82 POLB (0.42) POLBNPSR1TSHRKLKB1KLK1
SCHEMBL21527211 0.81 POLB (0.44) POLBNPSR1TSHRKLKB1KLK1
SCHEMBL21201599 0.81 POLB (0.41) POLBNPSR1TSHRKEAP1NFE2L2
SCHEMBL924028 0.73 TSHR (0.54) POLBNPSR1TSHR
SCHEMBL22148817 0.72 MET (0.36) TSHR
SCHEMBL16891528 0.71 MAPT (0.61) POLBNPSR1KLKB1KEAP1NFE2L2
SCHEMBL14611520 0.71 MAPT (0.57) POLBNPSR1LMNATP53
SCHEMBL28003324 0.68 POLB (0.55) POLBNPSR1LMNASMN1; SMN2
SCHEMBL9752787 0.68 POLB (0.63) POLBNPSR1KLKB1KEAP1NFE2L2
SCHEMBL9752644 0.68 POLB (0.58) POLBNPSR1TSHRLMNAL3MBTL1

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
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 POLB 4140/4885NPSR1 372/4885TSHR 1196/4885
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3901/4885NPSR1 442/4885TSHR 1220/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3901/4885NPSR1 442/4885TSHR 1220/4885

“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.