SCHEMBL29779641

SCHEMBL29779641

Cc1cnn(Cc2ccc(Cc3cncc(C(N)=O)c3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 18/20 0.64
KLK1 P06870 11/20 0.64
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NR1I2 O75469 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRM2 Q14416 1/20 0.47

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
SCHEMBL16486491 0.89 KLKB1 (0.63) KLKB1KLK1
SCHEMBL16487373 0.86 KLKB1 (0.62) KLKB1KLK1
SCHEMBL29779637 0.82 KLKB1 (0.61) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL28052880 0.80 KLKB1 (0.52) KLKB1KLK1
SCHEMBL16486732 0.79 KLKB1 (1.00) KLKB1KLK1
SCHEMBL29779639 0.79 KLKB1 (0.63) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL16486402 0.78 KLKB1 (1.00) KLKB1KLK1
SCHEMBL17818636 0.77 KLKB1 (1.00) KLKB1KLK1
SCHEMBL17696410 0.75 KLKB1 (0.55) KLKB1KLK1
SCHEMBL16486446 0.75 KLKB1 (0.58) KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2022-05-19 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 (1 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-20220153724-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 KLKB1 1/4885KLK1 4/4885CYP11B1 1810/4885

“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.