SCHEMBL6658837

SCHEMBL6658837

Cc1ccncc1-n1ccc2cc(-c3cccc(C#N)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
CYP11B1 P15538 6/20 0.46
CYP17A1 P05093 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA4 P43681 1/20 0.41
TEK Q02763 1/20 0.41
CYP19A1 P11511 1/20 0.40
CDC7 O00311 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 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
SCHEMBL6659149 0.90 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1CYP19A1CDC7
SCHEMBL6660536 0.87 CDC7 (0.50) CYP11B2CYP11B1CYP17A1CYP19A1CDC7
SCHEMBL6846055 0.86 CYP11B1 (0.46) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6654310 0.85 CYP11B1 (0.45) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A2
SCHEMBL6660394 0.84 CYP11B1 (0.41) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6660298 0.83 CYP11B2 (0.55) CYP11B2CYP11B1CYP17A1CYP19A1MAPT
SCHEMBL6653791 0.83 CYP11B1 (0.43) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6661489 0.83 CYP19A1 (0.43) CYP11B2CYP11B1CYP17A1CYP19A1CDC7
SCHEMBL6658314 0.83 MAPT (0.44) CYP11B2CYP11B1CYP17A1CYP3A4MAPT
SCHEMBL6656539 0.83 CYP11B1 (0.40) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5

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 30/4885CYP17A1 1/4885

“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.