SCHEMBL18039730

SCHEMBL18039730

CN(c1ccc(Cl)s1)c1cc(C2CCCN2C(=O)N2CCOCC2)nn1C(=O)c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ PRKDC P78527 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CCNC P24863 3/20 0.31
▸ CDK8 P49336 3/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ SCD5 Q86SK9 1/20 0.30
▸ F10 P00742 1/20 0.30

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 0.88 PKM (0.37) PKMPRKDCF2POLBCHRM2
SCHEMBL18039992 0.88 PKM (0.36) PKMPRKDCF2POLBCHRM2
SCHEMBL18039893 0.87 PKM (0.36) PKMPRKDCF2POLBCHRM2
SCHEMBL18039784 0.85 F2 (0.44) F2CNR2
SCHEMBL18039858 0.84 F2 (0.35) PKMF2POLBCHRM2CHRM3
SCHEMBL18039848 0.82 PKM (0.36) PKMF2POLB
SCHEMBL18039732 0.81 F2 (0.48) F2
SCHEMBL18039965 0.81 — —
SCHEMBL21824343 0.80 POLB (0.35) PKMPRKDCPOLBCHRM2CHRM3
SCHEMBL18039775 0.79 PKM (0.39) PKMF2POLBCNR2SCD5

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 299/4885PRKDC 762/4885F2 30/4885
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 PKM 299/4885PRKDC 762/4885F2 30/4885

“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