SCHEMBL6844540

SCHEMBL6844540

Clc1cc(-c2ccccc2)cc2ccn(-c3cccnc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
GRM2 Q14416 3/20 0.43
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2A6 P11509 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2E1 P05181 1/20 0.37
NR4A2 P43354 1/20 0.37
KDR P35968 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM1 Q13255 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
CNR1 P21554 1/20 0.35
TET2 Q6N021 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
SCHEMBL6845939 0.93 GRM2 (0.49) CYP19A1GRM2ALDH1A1L3MBTL1CYP17A1
SCHEMBL6844445 0.84 CYP2A6 (0.47) CYP19A1GRM2CYP11B1CYP11B2CYP2A6
SCHEMBL6846192 0.77 CYP2A6 (0.44) CYP19A1GRM2ALDH1A1L3MBTL1CYP17A1
SCHEMBL22515748 0.77 CYP11B2 (0.49) CYP19A1CYP17A1CYP11B1CYP11B2CYP2A6
SCHEMBL6655119 0.76 CYP11B2 (0.51) CYP19A1CYP17A1CYP11B1CYP11B2CYP2A6
SCHEMBL22515743 0.75 CYP11B2 (0.53) CYP19A1GRM2CYP17A1CYP11B1CYP11B2
SCHEMBL6846114 0.73 HTR1D (0.48) CYP19A1CYP17A1CYP11B1CYP11B2KDR
SCHEMBL6662535 0.71 CYP19A1 (0.51) CYP19A1CYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL6655938 0.71 TRPA1 (0.43) CYP19A1ALDH1A1CYP11B1CYP11B2CYP3A4
SCHEMBL16751046 0.70 CYP2A6 (0.40) CYP19A1CYP17A1CYP11B1CYP11B2CYP2A6

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 CYP19A1 9/4885GRM2 4166/4885ALDH1A1 126/4885

“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.