SCHEMBL6845462

SCHEMBL6845462

COc1ccc(-c2ccc3ccn(-c4cnccc4C)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CYP11B2 P19099 6/20 0.49
CYP11B1 P15538 5/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
PDE5A O76074 1/20 0.46
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
HTR6 P50406 1/20 0.40
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
PIK3CD O00329 1/20 0.39
PIK3CA P42336 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
SCHEMBL6653590 0.90 CYP11B2 (0.49) MAPTCYP11B2CYP11B1KDM4EHTT
SCHEMBL6659505 0.89 HTR6 (0.50) MAPTCYP11B2CYP11B1CYP19A1ROCK1
SCHEMBL6663540 0.85 MAPT (0.44) MAPTCYP11B2CYP11B1KDM4ECYP19A1
SCHEMBL6658554 0.85 CYP19A1 (0.48) MAPTCYP11B2CYP11B1KDM4ECYP19A1
SCHEMBL6840679 0.82 CYP11B1 (0.52) MAPTCYP11B2CYP11B1CYP19A1HTR6
SCHEMBL6661324 0.80 HTR1D (0.46) MAPTCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL6659317 0.80 CYP19A1 (0.45) MAPTKDM4ECYP17A1CYP19A1HTR6
SCHEMBL6845500 0.78 CYP11B1 (0.47) MAPTCYP11B2CYP11B1CYP19A1HTR6
SCHEMBL6846187 0.76 MAPT (0.40) MAPTCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL6659366 0.76 CYP19A1 (0.47) MAPTCYP11B2CYP11B1CYP19A1PDE2A

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

“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.