SCHEMBL18040048

SCHEMBL18040048

COc1ccccc1C(=O)n1nc(C2CCCN2C(C)=O)cc1NCc1ccc(Cl)s1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.73
▸ F2 P00734 9/20 0.71
▸ KLK1 P06870 3/20 0.63
▸ PLG P00747 1/20 0.63
▸ F11 P03951 1/20 0.63
▸ CTRB1 P17538 1/20 0.63
▸ CTRL P40313 1/20 0.63
▸ CTRB2 Q6GPI1 1/20 0.63
▸ CTRC Q99895 1/20 0.63
▸ F10 P00742 2/20 0.53

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
SCHEMBL18040001 0.92 KLKB1 (0.70) KLKB1F2KLK1PLGF11
SCHEMBL18039766 0.92 KLKB1 (0.70) KLKB1F2KLK1PLGF11
SCHEMBL18039919 0.91 KLKB1 (0.69) KLKB1F2KLK1PLGF11
SCHEMBL29905438 0.86 F2 (0.81) KLKB1F2KLK1PLGF11
SCHEMBL29905827 0.85 KLKB1 (0.78) KLKB1F2KLK1PLGF11
SCHEMBL18039815 0.85 KLKB1 (0.78) KLKB1F2KLK1PLGF11
SCHEMBL20506150 0.84 KLKB1 (1.00) KLKB1F2KLK1PLGF11
SCHEMBL20506397 0.83 F2 (1.00) KLKB1F2KLK1PLGF11
SCHEMBL29905897 0.83 F2 (1.00) KLKB1F2KLK1PLGF11
SCHEMBL29905946 0.83 F2 (0.77) KLKB1F2KLK1PLGF11

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 6 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
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 KLKB1 9/4885F2 30/4885KLK1 13/4885
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 KLKB1 9/4885F2 30/4885KLK1 13/4885

“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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