SCHEMBL6840591

SCHEMBL6840591

Cc1ccncc1-c1cccc2c1ccn2-c1cnccc1C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 20/20 0.52
CYP1A2 P05177 13/20 0.52

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
SCHEMBL6656515 0.86 CYP17A1 (0.47) CYP17A1CYP1A2
SCHEMBL6661647 0.85 MAPK14 (0.44) CYP17A1CYP1A2
SCHEMBL6847479 0.84 CYP17A1 (0.40) CYP17A1CYP1A2
SCHEMBL6845459 0.81 DHODH (0.41) CYP17A1CYP1A2
SCHEMBL6844416 0.81 CDC7 (0.41) CYP17A1CYP1A2
SCHEMBL6847538 0.81 CYP17A1 (0.40) CYP17A1CYP1A2
SCHEMBL6844285 0.80 CYP11B2 (0.42) CYP17A1CYP1A2
SCHEMBL6845971 0.80 SETD7 (0.41) CYP17A1CYP1A2
SCHEMBL6657600 0.79 CYP11B1 (0.43) CYP17A1CYP1A2
SCHEMBL6665169 0.77 CYP17A1 (0.49) CYP17A1CYP1A2

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 CYP17A1 1/4885CYP1A2 32/4885

“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.