SCHEMBL16365808

SCHEMBL16365808

N=C(N)c1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4cccn4)cc3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.80
▸ KLK1 P06870 4/20 0.56
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53

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
Hydrochloric Acid SCHEMBL15142762 0.99 KLKB1 (0.79) KLKB1KLK1HDAC1HDAC6
SCHEMBL1981938 0.89 KLKB1 (1.00) KLKB1KLK1
Hydrochloric Acid SCHEMBL1985633 0.88 KLKB1 (0.98) KLKB1KLK1
SCHEMBL30739101 0.87 KLKB1 (0.83) KLKB1KLK1
Acetic Acid SCHEMBL29253774 0.86 KLKB1 (0.94) KLKB1KLK1
SCHEMBL30739095 0.86 KLKB1 (0.82) KLKB1KLK1
SCHEMBL30739034 0.85 KLKB1 (0.84) KLKB1KLK1
SCHEMBL30739063 0.83 KLKB1 (0.77) KLKB1KLK1
SCHEMBL30739146 0.83 KLKB1 (0.77) KLKB1KLK1
SCHEMBL16365832 0.82 KLKB1 (0.79) 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-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors NOVARTIS AG (CH) 2014-12-25 — — 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-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885KLK1 3/4885HDAC1 587/4885

“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.

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