SCHEMBL6653791

SCHEMBL6653791

Cc1ccncc1-n1ccc2cc(-c3cccc(C#N)c3)cc(Cl)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.40
TEK Q02763 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP19A1 P11511 2/20 0.38
ADORA2A P29274 2/20 0.37
CDC7 O00311 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 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
SCHEMBL6846055 0.91 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1TEKCHRNB2
SCHEMBL6658837 0.83 CYP11B2 (0.46) CYP11B1CYP11B2CYP17A1TEKCHRNB2
SCHEMBL6845938 0.79 CYP19A1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL6660236 0.76 CYP19A1 (0.40) CYP11B1CYP11B2CYP17A1CYP19A1CDK2
SCHEMBL6844370 0.76 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1TEKCHRNB2
SCHEMBL6657600 0.74 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1TEKCHRNB2
SCHEMBL6659149 0.73 CYP11B2 (0.49) CYP11B1CYP11B2CYP17A1CYP19A1CDC7
SCHEMBL6659317 0.73 CYP19A1 (0.45) CYP17A1CYP19A1CDC7KCNH2
SCHEMBL6684921 0.72 CYP11B2 (0.49) CYP11B1CYP11B2CYP17A1TEKCHRNB2
SCHEMBL6660394 0.72 CYP11B1 (0.41) CYP11B1CYP11B2CYP17A1TEKCHRNB2

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 CYP11B1 30/4885CYP11B2 53/4885CYP17A1 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.