SCHEMBL21824343

SCHEMBL21824343

Nc1cc(C2CCCN2C(=O)N2CCOCC2)nn1C(=O)c1cscn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CNR2 P34972 3/20 0.34
▸ SCD5 Q86SK9 2/20 0.34
▸ PRKDC P78527 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CPT1A P50416 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PIM1 P11309 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
SCHEMBL21824349 0.85 POLB (0.36) POLBPKMCNR2SCD5PRKDC
SCHEMBL21824332 0.84 POLB (0.36) POLBPKMCNR2SCD5PRKDC
SCHEMBL29905537 0.81 POLB (0.33) POLBPKMIRAK4RIPK1CHRM2
SCHEMBL18039730 0.80 PKM (0.36) POLBPKMCNR2SCD5PRKDC
SCHEMBL18039732 0.79 F2 (0.48) —
SCHEMBL20474031 0.71 CCNA2 (0.35) POLBPKMCNR2RIPK1
SCHEMBL2310817 0.70 SMN1; SMN2 (0.53) MAPK1CHRM2CHRM3NAMPTALDH1A1
SCHEMBL29905609 0.69 CNR2 (0.40) POLBCNR2SCD5MAPK1CPT1A
SCHEMBL20474024 0.69 KDM4E (0.32) POLBPKMCNR2RIPK1
SCHEMBL29905195 0.69 F2 (0.48) —

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
EP-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP claimed
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 POLB 4419/4885PKM 299/4885CNR2 4330/4885

“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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