SCHEMBL24677008

SCHEMBL24677008

CN1C(=O)CC(=O)c2cc(-n3ccnc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
CRBN Q96SW2 2/20 0.42
TBXAS1 P24557 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 2/20 0.41
IDO1 P14902 1/20 0.41
CYP3A4 P08684 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
ADH5 P11766 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ENPP2 Q13822 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NOTUM Q6P988 1/20 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
SCHEMBL30833280 1.00 PDE3B (0.44) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL30833286 0.78 EGLN2 (0.39) CRBNCYP11B1CYP11B2CYP3A4LMNA
SCHEMBL30833285 0.74 CYP1A2 (0.35) CYP3A4LMNA
SCHEMBL31048001 0.71 NOTUM (0.45) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL30099722 0.69 GABRA1 (0.48) GABRG2GABRB3GABRA5LMNA
SCHEMBL30833278 0.69 CASP3 (0.57) GABRG2GABRB3GABRA5LMNA
SCHEMBL7273296 0.68 PDE3B (0.60) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL29769797 0.68 CD38 (0.35) CRBNCYP3A4LMNA
SCHEMBL27294863 0.67 CYP19A1 (0.53) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL23137976 0.67 PDE3B (0.56) PDE3BPDE3ACRBNTBXAS1CYP11B1

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-20220242862-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-08-04 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-20220242862-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 CD38, NQO2, NQO1 PDE3B 688/4885PDE3A 1135/4885CRBN 3448/4885

“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.