SCHEMBL18039893

SCHEMBL18039893

CN(c1ccc(Cl)s1)c1cc(C2CCN(C(=O)N3CCOCC3)C2)nn1C(=O)c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ F2 P00734 6/20 0.36
▸ F10 P00742 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SCD5 Q86SK9 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ TLR9 Q9NR96 2/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL18039915 0.95 PKM (0.37) PKMF2F10PRKDCFNTA
SCHEMBL18039992 0.95 PKM (0.36) PKMF2F10PRKDCFNTA
SCHEMBL18039775 0.89 PKM (0.39) PKMF2FNTAFNTBPOLB
SCHEMBL18039858 0.88 F2 (0.35) PKMF2F10POLBCHRM2
SCHEMBL18039730 0.87 PKM (0.36) PKMF2F10PRKDCPOLB
SCHEMBL18039869 0.85 F2 (0.48) F2F10POLB
SCHEMBL18039827 0.83 PKM (0.34) PKMF2POLB
SCHEMBL29905497 0.81 F2 (0.53) F2
SCHEMBL18039965 0.81 — —
SCHEMBL18040079 0.80 PKM (0.35) PKMF2F10POLB

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 5 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 disclosed
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
EP-3261639-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS Verseon Corporation (US) 2018-01-03 — — EP disclosed
WO-2016138532-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON CORPORATION (US) 2016-09-01 — — WO 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 PKM 299/4885F2 30/4885F10 269/4885
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 PKM 299/4885F2 30/4885F10 269/4885

“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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