SCHEMBL6736043

SCHEMBL6736043

Nc1cccc(-c2ccc3c(-c4cccnc4)coc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.59
MEN1 O00255 1/20 0.59
PSIP1 O75475 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
NTRK1 P04629 1/20 0.50
PIK3CA P42336 1/20 0.50
DYRK1A Q13627 1/20 0.50
MAP4K4 O95819 4/20 0.41
TDO2 P48775 1/20 0.41
CYP19A1 P11511 4/20 0.40
TEK Q02763 1/20 0.40
CYP11B1 P15538 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP17A1 P05093 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PDPK1 O15530 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6741783 0.89 CYP19A1 (0.49) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL6740241 0.86 ACVR1 (0.48) MKNK1MKNK2CYP19A1CYP11B1CYP3A4
SCHEMBL6740852 0.85 CYP3A4 (0.54) CYP19A1CYP11B1CYP3A4CYP11B2CYP17A1
SCHEMBL6741695 0.84 TDO2 (0.47) DYRK1AMAP4K4TDO2CYP19A1CYP11B1
SCHEMBL6736802 0.84 CYP19A1 (0.49) CYP19A1CYP11B1CYP3A4CYP11B2CYP17A1
SCHEMBL6741025 0.83 MIF (0.48) MKNK1MKNK2CYP19A1CYP11B1CYP3A4
SCHEMBL6740187 0.83 TDO2 (0.48) TDO2CYP19A1CYP11B1CYP3A4CYP11B2
Bromide SCHEMBL6741296 0.82 MIF (0.47) MKNK1MKNK2CYP19A1CYP11B1CYP3A4
SCHEMBL6744153 0.81 PIN1 (0.56) MEN1CYP19A1CYP11B1CYP3A4CYP11B2
SCHEMBL6741171 0.80 CYP2A6 (0.56) PIK3CACYP19A1CYP11B1CYP3A4CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US claimed
US-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US disclosed
US-20030149079-A1 Novel benzofuran derivatives DAIICHI PHARMACEUTICAL CO., LTD. 2003-08-07 US disclosed
EP-1283208-A1 NOVEL BENZOFURAN DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 EP 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-20030149079-A1 Novel benzofuran derivatives CYP17A1, CYP21A2, HSD17B7 AXL 4447/4885MEN1 2683/4885PSIP1 1656/4885

“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.