SCHEMBL20966403

SCHEMBL20966403

O=C(Nc1ccc2[nH]c(-c3ccc4[nH]c(C5CCCN5)nc4c3)cc2c1)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.47
▸ SCN3A Q9NY46 3/20 0.46
▸ SCN9A Q15858 2/20 0.46
▸ ULK1 O75385 1/20 0.44
▸ DHODH Q02127 3/20 0.43
▸ IKBKB O14920 2/20 0.41
▸ CHUK O15111 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37

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
SCHEMBL10223087 1.00 PSMB8 (0.47) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL10222792 0.85 SCN3A (0.57) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL24731039 0.84 SCN3A (0.55) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL13191471 0.82 ULK1 (0.48) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL10223109 0.82 ULK1 (0.48) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL28638185 0.82 PSMB8 (0.44) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL18849682 0.82 PSMB8 (0.44) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL18849736 0.82 PSMB8 (0.44) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL28638344 0.82 PSMB8 (0.44) PSMB8SCN3ASCN9AULK1DHODH
SCHEMBL12403439 0.81 SCN3A (0.47) PSMB8SCN3ASCN9AULK1DHODH

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-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 — — 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-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PSMB8 985/4885SCN3A 4477/4885SCN9A 4479/4885

“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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