SCHEMBL6844281

SCHEMBL6844281

N#Cc1cccc(-n2ccc3cc(-c4cccnc4)ccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.57
CYP11B1 P15538 6/20 0.57
CYP17A1 P05093 2/20 0.57
CHRNB2 P17787 2/20 0.51
CHRNA5 P30532 2/20 0.51
CHRNA4 P43681 2/20 0.51
IRAK4 Q9NWZ3 2/20 0.44
CYP19A1 P11511 3/20 0.44
NEK1 Q96PY6 1/20 0.41
CDC7 O00311 2/20 0.40
CDK2 P24941 1/20 0.40
NTSR1 P30989 1/20 0.40
PTGER2 P43116 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL6654549 0.93 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6658742 0.91 CYP11B2 (0.57) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6846125 0.85 CYP11B2 (0.59) CYP11B2CYP11B1CYP17A1CYP19A1NTSR1
SCHEMBL6663716 0.85 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL28107018 0.82 CYP19A1 (0.56) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL6657591 0.82 CYP11B2 (0.56) CYP11B2CYP11B1CYP17A1CYP19A1NTSR1
SCHEMBL6659693 0.82 CYP11B1 (0.59) CYP11B2CYP11B1CHRNB2CHRNA5CHRNA4
SCHEMBL6845959 0.82 CYP11B1 (0.54) CYP11B2CYP11B1CYP17A1CYP19A1NTSR1
SCHEMBL6657897 0.82 CYP11B2 (0.55) CYP11B2CYP11B1CYP17A1CYP19A1NTSR1
SCHEMBL6847800 0.82 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1CYP19A1NTSR1

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 1 patent. 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

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.