SCHEMBL20474024

SCHEMBL20474024

Nc1cc(C2CC3CCC(C2)N3)nn1C(=O)c1cscn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ TLR9 Q9NR96 2/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL20474031 0.84 CCNA2 (0.35) KDM4EPKMCNR2TLR9TLR8
SCHEMBL21824368 0.80 PKM (0.31) PKMPOLB
SCHEMBL20474023 0.80 PKM (0.34) KDM4EPKMCNR2TLR9TLR8
SCHEMBL29905537 0.76 POLB (0.33) PKMRIPK1POLB
SCHEMBL21824349 0.74 POLB (0.36) PKMCNR2POLB
SCHEMBL21824332 0.74 POLB (0.36) PKMCNR2TLR9TLR8TLR7
SCHEMBL21824343 0.69 POLB (0.35) PKMCNR2RIPK1POLB
SCHEMBL20474033 0.64 TLR9 (0.42) PKMTLR9TLR8TLR7RIPK1
SCHEMBL29905684 0.63 KDM4E (0.43) KDM4EPKMCNR2RIPK1POLB
SCHEMBL174681 0.62 SMN1; SMN2 (0.44) PKMPOLB

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 2 patents. 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
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-08-23 — — 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-20200109132-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 KDM4E 1691/4885MAP3K12 328/4885PKM 299/4885
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 KDM4E 1691/4885MAP3K12 328/4885PKM 299/4885

“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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