SCHEMBL6657591

SCHEMBL6657591

c1ccc(-n2ccc3cc(-c4cccnc4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.56
CYP11B1 P15538 7/20 0.56
CYP19A1 P11511 4/20 0.54
CYP17A1 P05093 4/20 0.54
NTSR1 P30989 1/20 0.46
FGFR1 P11362 1/20 0.44
HTR1D P28221 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
GRM2 Q14416 1/20 0.43
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PLA2G4A P47712 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL6846125 0.94 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL22515743 0.93 CYP11B2 (0.53) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL6655119 0.93 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL22515748 0.90 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL6966876 0.88 CYP11B2 (0.53) CYP11B2CYP11B1CYP19A1CYP17A1HTR1D
SCHEMBL16356490 0.88 CYP11B1 (0.48) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL16356718 0.87 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL6657897 0.85 CYP11B2 (0.55) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL6845959 0.85 CYP11B1 (0.54) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1
SCHEMBL6847800 0.85 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1CYP17A1NTSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 US disclosed
EP-1432698-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 CYP11B2 53/4885CYP11B1 30/4885CYP19A1 9/4885

“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.