SCHEMBL6845959

SCHEMBL6845959

Clc1cccc(-n2ccc3cc(-c4cccnc4)ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
ROCK2 O75116 1/20 0.52
PIM1 P11309 1/20 0.52
PIM3 Q86V86 1/20 0.52
HPGD P15428 1/20 0.46
TDP2 O95551 1/20 0.45
CYP19A1 P11511 2/20 0.44
CYP17A1 P05093 1/20 0.44
NTSR1 P30989 1/20 0.44
KCNH2 Q12809 1/20 0.43
AOC3 Q16853 1/20 0.43
GRM2 Q14416 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PGR P06401 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL6657580 0.92 ROCK2 (0.48) CYP11B1CYP11B2ROCK2PIM1PIM3
SCHEMBL6845970 0.90 HTR1D (0.48) CYP11B1CYP11B2ROCK2PIM1PIM3
SCHEMBL6846125 0.88 CYP11B2 (0.59) CYP11B1CYP11B2CYP19A1CYP17A1NTSR1
SCHEMBL6657591 0.85 CYP11B2 (0.56) CYP11B1CYP11B2PIM1CYP19A1CYP17A1
SCHEMBL6657897 0.85 CYP11B2 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1NTSR1
SCHEMBL6847800 0.85 CYP11B2 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1NTSR1
SCHEMBL6662535 0.84 CYP19A1 (0.51) CYP11B1CYP11B2ROCK2PIM1PIM3
SCHEMBL22515743 0.82 CYP11B2 (0.53) CYP11B1CYP11B2CYP19A1CYP17A1NTSR1
SCHEMBL6844281 0.82 CYP11B2 (0.57) CYP11B1CYP11B2CYP19A1CYP17A1NTSR1
SCHEMBL6655119 0.81 CYP11B2 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1NTSR1

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 53/4885ROCK2 2048/4885

“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.