SCHEMBL6846113

SCHEMBL6846113

c1cncc(-n2ccc3cc(-c4ccncc4)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.48
CYP11B1 P15538 4/20 0.48
HTR6 P50406 4/20 0.48
CYP19A1 P11511 3/20 0.41
CYP17A1 P05093 1/20 0.41
MAPT P10636 4/20 0.40
KDM4C Q9H3R0 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2E1 P05181 1/20 0.40
FAAH O00519 1/20 0.39
CLK1 P49759 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
SCHEMBL6655119 0.91 CYP11B2 (0.51) CYP11B2CYP11B1HTR6CYP19A1CYP17A1
SCHEMBL6846125 0.90 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1CYP17A1MAPT
SCHEMBL22515748 0.89 CYP11B2 (0.49) CYP11B2CYP11B1HTR6CYP19A1CYP17A1
SCHEMBL6662535 0.89 CYP19A1 (0.51) CYP11B2CYP11B1CYP19A1CYP17A1MAPT
SCHEMBL16538914 0.89 CYP11B2 (0.49) CYP11B2CYP11B1HTR6CYP19A1CYP17A1
SCHEMBL6656090 0.89 CYP11B2 (0.50) CYP11B2CYP11B1CYP19A1CYP17A1MAPT
SCHEMBL6663687 0.89 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1CYP17A1CYP3A4
SCHEMBL6844272 0.88 HTR6 (0.50) CYP11B2CYP11B1HTR6CYP19A1CYP17A1
SCHEMBL6847487 0.88 CYP11B2 (0.43) CYP11B2CYP11B1HTR6CYP3A4
SCHEMBL22515743 0.86 CYP11B2 (0.53) CYP11B2CYP11B1HTR6CYP19A1CYP17A1

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 30/4885HTR6 1791/4885

“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.