SCHEMBL6661324

SCHEMBL6661324

Cc1ccncc1-n1ccc2ccc(-c3ccsc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.46
HTR7 P34969 1/20 0.41
CYP19A1 P11511 1/20 0.40
HTR6 P50406 2/20 0.39
CYP2A6 P11509 3/20 0.39
MAPT P10636 7/20 0.38
CYP17A1 P05093 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35

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
SCHEMBL6847495 0.91 CYP11B1 (0.42) HTR1DHTR7CYP19A1CYP2A6MAPT
SCHEMBL6659505 0.87 HTR6 (0.50) HTR1DCYP19A1HTR6MAPTCYP11B1
SCHEMBL6658554 0.81 CYP19A1 (0.48) HTR1DCYP19A1HTR6MAPTCYP11B1
SCHEMBL6663540 0.81 MAPT (0.44) CYP19A1HTR6MAPTCYP11B1CYP11B2
SCHEMBL6840679 0.81 CYP11B1 (0.52) CYP19A1HTR6MAPTCYP11B1CYP11B2
SCHEMBL6845462 0.80 MAPT (0.49) CYP19A1HTR6MAPTCYP17A1CYP3A4
SCHEMBL6845508 0.79 CYP2A6 (0.50) HTR1DHTR7CYP19A1HTR6CYP2A6
SCHEMBL6659317 0.79 CYP19A1 (0.45) HTR1DCYP19A1HTR6MAPTCYP17A1
SCHEMBL6845500 0.77 CYP11B1 (0.47) CYP19A1HTR6MAPTCYP11B1CYP11B2
SCHEMBL6846187 0.75 MAPT (0.40) CYP19A1MAPTCYP17A1BACE1CYP11B1

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 HTR1D 1156/4885HTR7 979/4885CYP19A1 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.