SCHEMBL6654549

SCHEMBL6654549

N#Cc1cccc(-c2ccc3c(ccn3-c3cccnc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.53
CYP11B1 P15538 3/20 0.53
CYP17A1 P05093 1/20 0.53
CHRNB2 P17787 2/20 0.47
CHRNA5 P30532 2/20 0.47
CHRNA4 P43681 2/20 0.47
CYP19A1 P11511 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.43
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
NEK1 Q96PY6 1/20 0.42
VCP P55072 1/20 0.42
CDC7 O00311 2/20 0.42
CDK2 P24941 1/20 0.42
PTGER2 P43116 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL6844281 0.93 CYP11B2 (0.57) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6663716 0.89 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL28107018 0.87 CYP19A1 (0.56) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6658742 0.86 CYP11B2 (0.57) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6658922 0.85 CYP17A1 (0.41) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6846125 0.84 CYP11B2 (0.59) CYP11B2CYP11B1CYP17A1CYP19A1ALDH1A1
SCHEMBL6655119 0.83 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL22515745 0.81 ALDH1A3 (0.43) IRAK4CDC7CDK2ADORA2AADORA1
SCHEMBL6658837 0.81 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6657585 0.81 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A2

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.