SCHEMBL6846150

SCHEMBL6846150

c1cncc(-c2ccc3ccn(-c4cccnc4)c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.55
CYP11B2 P19099 9/20 0.53
CYP11B1 P15538 8/20 0.53
CYP19A1 P11511 5/20 0.53
CYP17A1 P05093 4/20 0.53
FGFR1 P11362 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GRM2 Q14416 1/20 0.42
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 0.42

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
SCHEMBL6846114 0.93 HTR1D (0.48) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6844272 0.90 HTR6 (0.50) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6845970 0.88 HTR1D (0.48) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6846125 0.88 CYP11B2 (0.59) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6660867 0.88 MAPT (0.46) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6659322 0.88 HTR1D (0.47) HTR1DCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6658140 0.87 CYP19A1 (0.55) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6658742 0.85 CYP11B2 (0.57) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6844427 0.84 CYP11B2 (0.54) HTR1DCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6846000 0.84 CDC7 (0.43) HTR1DCYP11B2CYP11B1CYP19A1MAPT

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 HTR1D 1156/4885CYP11B2 53/4885CYP11B1 30/4885

“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.