SCHEMBL6845971

SCHEMBL6845971

Cc1ccncc1-n1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
CYP17A1 P05093 8/20 0.40
SLC22A12 Q96S37 2/20 0.38
EPHX2 P34913 1/20 0.38
HTR6 P50406 1/20 0.37
CYP1A2 P05177 4/20 0.37
KIF11 P52732 1/20 0.37
HSD11B1 P28845 1/20 0.37
PDE10A Q9Y233 1/20 0.36
PDE2A O00408 1/20 0.36
DYRK1A Q13627 1/20 0.36
GPBAR1 Q8TDU6 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
SCHEMBL6656515 0.86 CYP17A1 (0.47) CYP17A1HTR6CYP1A2HSD11B1DYRK1A
SCHEMBL6661647 0.82 MAPK14 (0.44) CYP17A1CYP1A2HSD11B1
SCHEMBL6844285 0.82 CYP11B2 (0.42) CYP17A1SLC22A12HTR6CYP1A2
SCHEMBL6845459 0.81 DHODH (0.41) CYP17A1SLC22A12CYP1A2HSD11B1
SCHEMBL6840591 0.80 CYP17A1 (0.52) CYP17A1CYP1A2
SCHEMBL6844416 0.78 CDC7 (0.41) CYP17A1CYP1A2
SCHEMBL6656027 0.77 CYP11B1 (0.42) HTR6CYP1A2KIF11PDE10APDE2A
SCHEMBL6657600 0.76 CYP11B1 (0.43) CYP17A1SLC22A12CYP1A2
SCHEMBL6661929 0.74 MET (0.42) CYP1A2
SCHEMBL6847479 0.74 CYP17A1 (0.40) CYP17A1CYP1A2

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 SETD7 2397/4885EHMT2 2204/4885CYP17A1 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.