SCHEMBL21824349

SCHEMBL21824349

Nc1cc(C2CN(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
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ BLM P54132 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SCD O00767 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
SCHEMBL21824332 0.93 POLB (0.36) POLBPKMCHRM2CHRM3CNR2
SCHEMBL29905537 0.86 POLB (0.33) POLBPKMCHRM2CHRM3ALDH1A1
SCHEMBL21824343 0.85 POLB (0.35) POLBPKMCHRM2CHRM3CNR2
SCHEMBL18039992 0.78 PKM (0.36) POLBPKMCHRM2CHRM3PRKDC
SCHEMBL18039994 0.78 F2 (0.53) —
SCHEMBL20474023 0.76 PKM (0.34) POLBPKMCNR2
SCHEMBL20474031 0.76 CCNA2 (0.35) POLBPKMCNR2
SCHEMBL20474024 0.74 KDM4E (0.32) POLBPKMCNR2
SCHEMBL21824376 0.73 ALDH1A1 (0.44) POLBPKMALDH1A1HPGDTP53
SCHEMBL18039893 0.73 PKM (0.36) POLBPKMCHRM2CHRM3PRKDC

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 1 patent. 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

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 299/4885CHRM2 4824/4885

“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