SCHEMBL6840679

SCHEMBL6840679

Cc1ccncc1-c1ccc2ccn(-c3cnccc3C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.52
CYP11B2 P19099 7/20 0.52
ABL1 P00519 7/20 0.48
CYP19A1 P11511 1/20 0.44
HTR6 P50406 1/20 0.40
MAPT P10636 2/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38

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
SCHEMBL6847482 0.89 CYP11B1 (0.62) CYP11B1CYP11B2ABL1CYP19A1CLK2
SCHEMBL6659505 0.88 HTR6 (0.50) CYP11B1CYP11B2CYP19A1HTR6MAPT
SCHEMBL6659366 0.85 CYP19A1 (0.47) CYP11B1CYP11B2ABL1CYP19A1HTR6
SCHEMBL6846187 0.85 MAPT (0.40) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6658554 0.84 CYP19A1 (0.48) CYP11B1CYP11B2CYP19A1HTR6MAPT
SCHEMBL6663540 0.84 MAPT (0.44) CYP11B1CYP11B2CYP19A1HTR6MAPT
SCHEMBL6840478 0.82 CYP11B1 (0.51) CYP11B1CYP11B2ABL1CYP19A1MAPT
SCHEMBL6845462 0.82 MAPT (0.49) CYP11B1CYP11B2CYP19A1HTR6MAPT
SCHEMBL6846189 0.81 CYP17A1 (0.53) CYP11B1CYP11B2ABL1MAPT
SCHEMBL6661324 0.81 HTR1D (0.46) CYP11B1CYP11B2CYP19A1HTR6MAPT

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 53/4885ABL1 952/4885

“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.