SCHEMBL6844285

SCHEMBL6844285

Cc1ccncc1-n1ccc2c(-c3ccc(C#N)cc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.42
CYP11B1 P15538 1/20 0.42
CYP19A1 P11511 1/20 0.41
SLC22A12 Q96S37 5/20 0.38
CYP17A1 P05093 5/20 0.37
TNF P01375 1/20 0.37
KDM1A O60341 1/20 0.36
CYP1A2 P05177 3/20 0.35
HTR6 P50406 1/20 0.35
AR P10275 1/20 0.35
SRC P12931 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
SCHEMBL6657600 0.89 CYP11B1 (0.43) CYP11B2CYP11B1CYP19A1SLC22A12CYP17A1
SCHEMBL6656515 0.86 CYP17A1 (0.47) CYP17A1TNFCYP1A2HTR6
SCHEMBL6847479 0.83 CYP17A1 (0.40) CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL6661647 0.82 MAPK14 (0.44) CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL6845971 0.82 SETD7 (0.41) SLC22A12CYP17A1CYP1A2HTR6
SCHEMBL6840591 0.80 CYP17A1 (0.52) CYP17A1CYP1A2
SCHEMBL6844416 0.78 CDC7 (0.41) CYP17A1CYP1A2
SCHEMBL6845459 0.78 DHODH (0.41) CYP11B2CYP11B1SLC22A12CYP17A1CYP1A2
SCHEMBL6659149 0.77 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A2
SCHEMBL6659801 0.77 CYP1A2 (0.40) CYP11B2CYP11B1CYP19A1SLC22A12CYP1A2

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 30/4885CYP19A1 9/4885

“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.