SCHEMBL6653590

SCHEMBL6653590

COc1ccc(-c2ccc3c(ccn3-c3cnccc3C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.49
CYP11B1 P15538 6/20 0.49
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
CYP17A1 P05093 3/20 0.42
CYP19A1 P11511 2/20 0.42
ROCK1 Q13464 1/20 0.42
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DYRK1A Q13627 1/20 0.40
LCK P06239 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
PIK3CD O00329 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
SCHEMBL6845462 0.90 MAPT (0.49) CYP11B2CYP11B1MAPTKDM4EHTT
SCHEMBL6845500 0.89 CYP11B1 (0.47) CYP11B2CYP11B1MAPTCYP19A1
SCHEMBL6654310 0.86 CYP11B1 (0.45) CYP11B2CYP11B1MAPTCYP17A1CYP19A1
SCHEMBL6656138 0.85 CYP19A1 (0.45) CYP11B2CYP11B1MAPTKDM4ECYP19A1
SCHEMBL6657641 0.85 CYP11B1 (0.44) CYP11B2CYP11B1MAPTCYP19A1PDE10A
SCHEMBL6846121 0.84 CYP11B1 (0.45) CYP11B2CYP11B1MAPTCYP19A1
SCHEMBL6660298 0.82 CYP11B2 (0.55) CYP11B2CYP11B1MAPTCYP17A1CYP19A1
SCHEMBL6847482 0.82 CYP11B1 (0.62) CYP11B2CYP11B1CYP19A1DYRK1A
SCHEMBL6659149 0.82 CYP11B2 (0.49) CYP11B2CYP11B1MAPTCYP17A1CYP19A1
SCHEMBL6656027 0.82 CYP11B1 (0.42) CYP11B2CYP11B1KDM4ECYP19A1PDE2A

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 CYP11B2 53/4885CYP11B1 30/4885MAPT 1659/4885

“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.