SCHEMBL20474033

SCHEMBL20474033

Nc1cc(C2CCN(C(=O)c3cscn3)CC2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.42
▸ TLR8 Q9NR97 2/20 0.42
▸ TLR7 Q9NYK1 2/20 0.42
▸ RIPK1 Q13546 1/20 0.41
▸ KDM5A P29375 3/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TRPC6 Q9Y210 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL27822866 0.77 DRD2 (0.37) KDM5ATRPC6KMT2A
SCHEMBL2517603 0.74 RIPK1 (0.51) TLR9TLR8TLR7RIPK1PKM
SCHEMBL15070484 0.73 RIPK1 (0.50) RIPK1PKMTRPC6KMT2APOLB
SCHEMBL28471941 0.71 RIPK1 (0.48) TLR9TLR8TLR7RIPK1PKM
SCHEMBL2722252 0.71 POLB (0.48) TLR9TLR8TLR7RIPK1PARP1
SCHEMBL3329035 0.70 KDM4E (0.50) RIPK1PARP1PKMKMT2APOLB
SCHEMBL1493280 0.70 HTT (0.54) KMT2A
SCHEMBL13532859 0.70 KDM4E (0.46) RIPK1PARP1PKMKMT2APOLB
SCHEMBL27971608 0.69 PKM (0.49) RIPK1PKMKMT2APOLBNAMPT
SCHEMBL170833 0.68 — —

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-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-08-23 — — 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-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 TLR9 4654/4885TLR8 3619/4885TLR7 4343/4885

“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