SCHEMBL6846182

SCHEMBL6846182

COc1cccc(-c2ccc3c(ccn3-c3cccnc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.54
CYP11B1 P15538 4/20 0.54
CYP17A1 P05093 2/20 0.54
CYP19A1 P11511 2/20 0.54
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAD51 Q06609 1/20 0.46
NPY5R Q15761 1/20 0.44
TNIK Q9UKE5 1/20 0.44
LCK P06239 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL6844427 0.90 CYP11B2 (0.54) CYP11B2CYP11B1CYP17A1CYP19A1NPC1
SCHEMBL6656508 0.90 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1CYP19A1NPC1
SCHEMBL6660192 0.87 CYP11B1 (0.57) CYP11B2CYP11B1CYP17A1CYP19A1NPC1
SCHEMBL6846125 0.84 CYP11B2 (0.59) CYP11B2CYP11B1CYP17A1CYP19A1MAPT
SCHEMBL6656915 0.84 CYP11B1 (0.50) CYP11B2CYP11B1CYP17A1CYP19A1MAPT
SCHEMBL6655119 0.83 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL6657585 0.81 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1MAPT
SCHEMBL6657580 0.81 ROCK2 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1MAPT
SCHEMBL22515748 0.81 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL6663687 0.81 CYP11B2 (0.49) CYP11B2CYP11B1CYP17A1CYP19A1NPC1

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 CYP11B2 53/4885CYP11B1 30/4885CYP17A1 1/4885

“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.