SCHEMBL6840702

SCHEMBL6840702

Cc1ccncc1-c1ccc2c(ccn2-c2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.59
CYP11B2 P19099 6/20 0.59
ABL1 P00519 3/20 0.46
CYP19A1 P11511 1/20 0.42
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
GRM1 Q13255 1/20 0.39
CYP17A1 P05093 3/20 0.39
CYP1A2 P05177 2/20 0.38
WNT1 P04628 1/20 0.38
TLR8 Q9NR97 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
SCHEMBL6659579 0.90 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP2E1CYP3A4
SCHEMBL6847482 0.84 CYP11B1 (0.62) CYP11B1CYP11B2ABL1CYP19A1CCNC
SCHEMBL6659693 0.84 CYP11B1 (0.59) CYP11B1CYP11B2ABL1CYP19A1CYP3A4
SCHEMBL6652718 0.84 CYP2E1 (0.43) CYP11B1CYP11B2ABL1CYP19A1CYP2E1
SCHEMBL6846122 0.83 CYP11B1 (0.58) CYP11B1CYP11B2ABL1CCNCCDK8
SCHEMBL6663687 0.83 CYP11B2 (0.49) CYP11B1CYP11B2CYP19A1CYP2E1CYP3A4
SCHEMBL6846113 0.82 CYP11B2 (0.48) CYP11B1CYP11B2CYP19A1CYP2E1CYP3A4
SCHEMBL6847521 0.81 CYP11B1 (0.56) CYP11B1CYP11B2ABL1CYP17A1CYP1A2
SCHEMBL6846125 0.81 CYP11B2 (0.59) CYP11B1CYP11B2CYP19A1CYP3A4CYP2A6
SCHEMBL6656915 0.81 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP2E1CYP3A4

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.