SCHEMBL6845932

SCHEMBL6845932

Cc1ccncc1-n1ccc2cc(-c3ccccc3F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
TRPA1 O75762 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
DHODH Q02127 2/20 0.38
MAPT P10636 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
BACE1 P56817 1/20 0.37
CYP19A1 P11511 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CYP17A1 P05093 1/20 0.36
HSD11B1 P28845 1/20 0.36
ERBB2 P04626 1/20 0.35
ABL1 P00519 1/20 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
SCHEMBL6846187 0.91 MAPT (0.40) CYP11B1CYP11B2TRPA1DHODHMAPT
SCHEMBL6653056 0.86 CYP11B1 (0.46) CYP11B1CYP11B2TRPA1TNKS2BACE1
SCHEMBL6847482 0.85 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CCNCCDK8
SCHEMBL6661142 0.85 MAPT (0.39) CYP11B1CYP11B2MAPTCYP19A1CYP17A1
SCHEMBL6654310 0.84 CYP11B1 (0.45) CYP11B1CYP11B2MAPTCYP19A1CCNC
SCHEMBL6662828 0.83 NR3C1 (0.44) CYP11B1CYP11B2TRPA1NR3C1MAPT
SCHEMBL6657641 0.83 CYP11B1 (0.44) CYP11B1CYP11B2NR3C1PGRMAPT
SCHEMBL6658314 0.82 MAPT (0.44) CYP11B1CYP11B2NR3C1MAPTCYP17A1
SCHEMBL6845500 0.81 CYP11B1 (0.47) CYP11B1CYP11B2MAPTCYP19A1
SCHEMBL6660236 0.81 CYP19A1 (0.40) CYP11B1CYP11B2TRPA1DHODHMAPT

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 CYP11B1 30/4885CYP11B2 53/4885TRPA1 4240/4885

“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.