SCHEMBL6656515

SCHEMBL6656515

Cc1ccncc1-n1ccc2c(-c3ccccc3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 11/20 0.47
CYP1A2 P05177 10/20 0.47
TNF P01375 1/20 0.46
HTR6 P50406 2/20 0.44
HSD11B1 P28845 1/20 0.44
DHODH Q02127 1/20 0.40
DYRK1A Q13627 1/20 0.40
HTR3A P46098 2/20 0.39
ATM Q13315 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
SCHEMBL6661647 0.91 MAPK14 (0.44) CYP17A1CYP1A2HSD11B1HTR3A
SCHEMBL6845459 0.87 DHODH (0.41) CYP17A1CYP1A2HSD11B1DHODH
SCHEMBL6840591 0.86 CYP17A1 (0.52) CYP17A1CYP1A2
SCHEMBL6844285 0.86 CYP11B2 (0.42) CYP17A1CYP1A2TNFHTR6
SCHEMBL6845971 0.86 SETD7 (0.41) CYP17A1CYP1A2HTR6HSD11B1DYRK1A
SCHEMBL6844416 0.84 CDC7 (0.41) CYP17A1CYP1A2HTR3A
SCHEMBL6657600 0.84 CYP11B1 (0.43) CYP17A1CYP1A2
SCHEMBL6661929 0.82 MET (0.42) CYP1A2
SCHEMBL6847479 0.82 CYP17A1 (0.40) CYP17A1CYP1A2HTR3A
SCHEMBL6847772 0.78 DYRK1A (0.47) CYP17A1CYP1A2TNFHTR6HSD11B1

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 CYP17A1 1/4885CYP1A2 32/4885TNF 4642/4885

“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.