SCHEMBL21229072

SCHEMBL21229072

O=C(O)NCc1cnc(-c2ccc3c(c2)CC(=O)N3)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.47
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ DBF4 Q9UBU7 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ POLQ O75417 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ GRIA1 P42261 3/20 0.42
▸ CACNG8 Q8WXS5 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ AKT1 P31749 3/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ KIT P10721 2/20 0.39

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
SCHEMBL18667644 0.85 PDE3B (0.47) CRBNPDE3BPDE3ACDK2CDC7
SCHEMBL18667645 0.85 CRBN (0.43) CRBNPDE3BPDE3ACDK2CDC7
SCHEMBL26759071 0.82 PDE3B (0.50) CRBNPDE3BPDE3ACDK2CDC7
Hydrochloric Acid SCHEMBL18641453 0.81 PDE3B (0.49) CRBNPDE3BPDE3ACDK2CDC7
SCHEMBL18641488 0.80 PDE3B (0.43) CRBNPDE3BPDE3ACDK2CYP1A2
SCHEMBL18667361 0.77 SMYD3 (0.40) CRBNCDK2CDC7CCNE1DBF4
SCHEMBL16090324 0.75 CYP1A2 (0.54) PDE3BPDE3ACDK2CDC7CCNE1
SCHEMBL21229048 0.73 HDAC1 (0.49) —
SCHEMBL21229063 0.73 NAMPT (0.45) CYP11B1CYP11B2
SCHEMBL21229053 0.73 HDAC1 (0.51) CYP1A2CYP11B1CYP11B2

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-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 — — 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-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS CRBN 777/4885PDE3B 3685/4885PDE3A 4279/4885

“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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