SCHEMBL6658554

SCHEMBL6658554

Cc1ccncc1-n1ccc2ccc(-c3ccc(Cl)cc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
MAPT P10636 8/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTR6 P50406 3/20 0.41
PDE2A O00408 2/20 0.39
PDE10A Q9Y233 2/20 0.39
KCNH2 Q12809 2/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAP3K14 Q99558 1/20 0.38
AOC3 Q16853 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTR1D P28221 1/20 0.36

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
SCHEMBL6659505 0.91 HTR6 (0.50) CYP19A1MAPTHTR6CDK2ROCK1
SCHEMBL6656138 0.90 CYP19A1 (0.45) CYP19A1MAPTKDM4EGAAHTR6
SCHEMBL6659317 0.89 CYP19A1 (0.45) CYP19A1MAPTKDM4EGAAHTR6
SCHEMBL6663540 0.87 MAPT (0.44) CYP19A1MAPTKDM4EHTR6PDE10A
SCHEMBL6845462 0.85 MAPT (0.49) CYP19A1MAPTKDM4EHTR6PDE2A
SCHEMBL6840679 0.84 CYP11B1 (0.52) CYP19A1MAPTHTR6CYP11B1CYP11B2
SCHEMBL6659366 0.83 CYP19A1 (0.47) CYP19A1MAPTGAAHTR6PDE2A
SCHEMBL6661324 0.81 HTR1D (0.46) CYP19A1MAPTHTR6CYP11B1CYP11B2
SCHEMBL6845500 0.80 CYP11B1 (0.47) CYP19A1MAPTHTR6CYP11B1CYP11B2
SCHEMBL6661489 0.79 CYP19A1 (0.43) CYP19A1MAPTCDC7CYP11B1CYP11B2

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 CYP19A1 9/4885MAPT 1659/4885KDM4E 970/4885

“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.