SCHEMBL6845949

SCHEMBL6845949

c1cncc(-c2ccc3c(cnn3-c3cccnc3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.68
NR3C1 P04150 6/20 0.55
CYP11B1 P15538 7/20 0.51
CYP19A1 P11511 3/20 0.51
CYP17A1 P05093 3/20 0.51
PGR P06401 3/20 0.50
SMO Q99835 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44

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
SCHEMBL6654901 0.87 CYP11B2 (0.80) CYP11B2NR3C1CYP11B1PGRSMO
SCHEMBL15839046 0.81 CYP11B2 (1.00) CYP11B2NR3C1CYP11B1PGRSMO
SCHEMBL3017074 0.81 CYP11B2 (0.69) CYP11B2NR3C1CYP11B1SMOCYP1A2
SCHEMBL15825125 0.81 CYP11B2 (0.69) CYP11B2NR3C1CYP11B1CYP19A1PGR
SCHEMBL413216 0.81 CYP11B2 (0.69) CYP11B2NR3C1CYP11B1PGRSMO
SCHEMBL6653634 0.78 CYP11B2 (0.65) CYP11B2CYP11B1CYP17A1SMOCYP1A2
SCHEMBL30708157 0.78 CYP11B2 (0.65) CYP11B2CYP11B1CYP17A1SMOCYP1A2
SCHEMBL6846125 0.78 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL30864253 0.76 CYP11B2 (0.63) CYP11B2NR3C1CYP11B1SMOALDH1A1
SCHEMBL15839035 0.76 CYP11B2 (0.71) CYP11B2NR3C1CYP11B1PGRSMO

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 53/4885NR3C1 2336/4885CYP11B1 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.