SCHEMBL21824332

SCHEMBL21824332

Nc1cc(C2CCN(C(=O)N3CCOCC3)C2)nn1C(=O)c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.36
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ KDM5A P29375 2/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ SCD5 Q86SK9 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM3 P20309 1/20 0.32

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 0.93 POLB (0.36) POLBPKMALDH1A1HPGDBLM
SCHEMBL29905537 0.85 POLB (0.33) POLBPKMALDH1A1HPGDBLM
SCHEMBL21824343 0.84 POLB (0.35) POLBPKMALDH1A1HPGDBLM
SCHEMBL18039893 0.80 PKM (0.36) POLBPKMHPGDPRKDCTLR9
SCHEMBL29905497 0.79 F2 (0.53) —
SCHEMBL21824376 0.78 ALDH1A1 (0.44) POLBPKMALDH1A1HPGDBLM
SCHEMBL20474031 0.75 CCNA2 (0.35) POLBPKMTLR9TLR8TLR7
SCHEMBL20474023 0.75 PKM (0.34) POLBPKMTLR9TLR8TLR7
SCHEMBL18039915 0.74 PKM (0.37) POLBPKMPRKDCCHRM2CHRM3
SCHEMBL20474024 0.74 KDM4E (0.32) POLBPKMTLR9TLR8TLR7

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 299/4885ALDH1A1 3372/4885

“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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