SCHEMBL21824368

SCHEMBL21824368

CS(=O)(=O)N1C2CCC1CC(c1cc(N)n(C(=O)c3cscn3)n1)C2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ BRAF P15056 1/20 0.30

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
SCHEMBL18040009 0.79 PKM (0.31) PKM
SCHEMBL20474031 0.78 CCNA2 (0.35) PKMPOLB
SCHEMBL18040006 0.77 F2 (0.50) —
SCHEMBL21824349 0.70 POLB (0.36) PKMPOLB
SCHEMBL21824332 0.70 POLB (0.36) PKMPOLB
SCHEMBL21824343 0.65 POLB (0.35) PKMPOLB
SCHEMBL18039790 0.63 PKM (0.33) PKM
SCHEMBL17350845 0.62 TLR9 (0.40) PKMPOLB
SCHEMBL18039824 0.61 F2 (0.43) —
SCHEMBL4138174 0.60 NPC1 (0.40) PKM

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-20200109132-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2020-04-09 — — 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-20200109132-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 PKM 299/4885SMYD3 2890/4885POLB 4419/4885

“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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