SCHEMBL6846121

SCHEMBL6846121

Cc1ccncc1-n1ccc2cc(-c3cncnc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
CYP19A1 P11511 1/20 0.40
MAPT P10636 9/20 0.36
DRD2 P14416 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL6845500 0.89 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1MAPTRAPGEF4
SCHEMBL6660298 0.88 CYP11B2 (0.55) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6654310 0.87 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1MAPTCCNC
SCHEMBL6657641 0.86 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6656138 0.86 CYP19A1 (0.45) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6847482 0.85 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1RAPGEF4CCNC
SCHEMBL6653590 0.84 CYP11B2 (0.49) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6661489 0.83 CYP19A1 (0.43) CYP11B1CYP11B2CYP19A1MAPTHSD11B1
SCHEMBL6847495 0.83 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1MAPTCCNC
SCHEMBL6656027 0.83 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1

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 CYP11B1 30/4885CYP11B2 53/4885CYP19A1 9/4885

“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.