SCHEMBL18039775

SCHEMBL18039775

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.39
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ SCD5 Q86SK9 3/20 0.34
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SPR P35270 2/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ F2 P00734 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ VNN1 O95497 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
SCHEMBL18039893 0.89 PKM (0.36) PKMFNTAFNTBSCD5TLR9
SCHEMBL18039827 0.87 PKM (0.34) PKMPOLBMGLLF2
SCHEMBL18039915 0.85 PKM (0.37) PKMFNTAFNTBPOLBF2
SCHEMBL18039992 0.85 PKM (0.36) PKMFNTAFNTBPOLBMGLL
SCHEMBL18040079 0.84 PKM (0.35) PKMPOLBF2
SCHEMBL18039835 0.83 F2 (0.44) SCD5F2VNN1
SCHEMBL18039790 0.83 PKM (0.33) PKMMGLLF2
SCHEMBL18040035 0.82 PKM (0.35) PKMFNTAFNTBPOLBF2
SCHEMBL18040013 0.81 PKM (0.33) PKMFNTAFNTBKMT2A
SCHEMBL18039848 0.80 PKM (0.36) PKMPOLBMGLLF2

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 4 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
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 299/4885FNTA 2296/4885FNTB 3291/4885
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 PKM 299/4885FNTA 2296/4885FNTB 3291/4885

“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.

Send feedback