SCHEMBL6845939

SCHEMBL6845939

Clc1cc(-c2cccnc2)cc2ccn(-c3cccnc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.49
NR4A2 P43354 1/20 0.42
CYP11B2 P19099 9/20 0.42
CYP11B1 P15538 8/20 0.42
CYP19A1 P11511 4/20 0.42
CYP17A1 P05093 1/20 0.42
CYP2A6 P11509 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2E1 P05181 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
AOC3 Q16853 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
SCHEMBL6844540 0.93 CYP19A1 (0.44) GRM2NR4A2CYP11B2CYP11B1CYP19A1
SCHEMBL6844445 0.85 CYP2A6 (0.47) GRM2CYP11B2CYP11B1CYP19A1CYP2A6
SCHEMBL6846192 0.83 CYP2A6 (0.44) GRM2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6846125 0.75 CYP11B2 (0.59) GRM2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL22515743 0.73 CYP11B2 (0.53) GRM2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6846150 0.72 HTR1D (0.55) GRM2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL30146986 0.71 CYP2A6 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL16751046 0.71 CYP2A6 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL6845959 0.71 CYP11B1 (0.54) GRM2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6657591 0.70 CYP11B2 (0.56) GRM2CYP11B2CYP11B1CYP19A1CYP17A1

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 GRM2 4166/4885NR4A2 4146/4885CYP11B2 53/4885

“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.