SCHEMBL6662828

SCHEMBL6662828

Cc1ccncc1-n1ccc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
TRPA1 O75762 1/20 0.43
GABRA1 P14867 5/20 0.41
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA2 P47869 4/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
ABL1 P00519 1/20 0.38
CYP19A1 P11511 1/20 0.38
PDE10A Q9Y233 2/20 0.37
PPARG P37231 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6655307 0.87 CYP11B1 (0.52) NR3C1CYP11B1CYP11B2TRPA1ABL1
SCHEMBL6653056 0.83 CYP11B1 (0.46) CYP11B1CYP11B2TRPA1ABL1CYP19A1
SCHEMBL6845932 0.83 CYP11B1 (0.46) NR3C1CYP11B1CYP11B2TRPA1ABL1
SCHEMBL6847482 0.82 CYP11B1 (0.62) CYP11B1CYP11B2ABL1CYP19A1
SCHEMBL6659149 0.82 CYP11B2 (0.49) CYP11B1CYP11B2ABL1CYP19A1MAPT
SCHEMBL6658837 0.81 CYP11B2 (0.46) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6654310 0.81 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6660536 0.79 CDC7 (0.50) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6847479 0.79 CYP17A1 (0.40) CYP11B2CYP19A1
SCHEMBL6845500 0.79 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1MAPT

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 NR3C1 2336/4885CYP11B1 30/4885CYP11B2 53/4885

“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.