SCHEMBL6655720

SCHEMBL6655720

FC(F)(F)c1ccccc1-c1cccc2c1ccn2-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.48
CYP3A4 P08684 6/20 0.42
CYP2D6 P10635 6/20 0.42
CYP2C19 P33261 6/20 0.42
CYP1A2 P05177 6/20 0.42
NPY5R Q15761 1/20 0.41
ALOX15 P16050 3/20 0.39
USP2 O75604 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
P2RX7 Q99572 1/20 0.39
CLK4 Q9HAZ1 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
USP1 O94782 2/20 0.37
WDR48 Q8TAF3 2/20 0.37

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
SCHEMBL6846183 0.80 HSD11B1 (0.45) HSD11B1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6847772 0.80 DYRK1A (0.47) HSD11B1CYP3A4CYP1A2HSD17B10HTT
SCHEMBL6840695 0.79 NPY5R (0.44) NPY5R
SCHEMBL6846105 0.78 MAPK14 (0.49) CYP3A4CYP1A2HSD17B10HTTALDH1A1
SCHEMBL6660274 0.77 TRPA1 (0.53) HSD11B1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6657827 0.76 CYP17A1 (0.41) CYP3A4CYP1A2HSD17B10HTTGSK3B
SCHEMBL6658639 0.76 MAPK14 (0.43) CYP3A4CYP1A2HSD17B10HTTPRKCB
SCHEMBL6846191 0.76 DHPS (0.50) HSD11B1CYP3A4CYP1A2ALDH1A1GSK3B
SCHEMBL6845619 0.75 HTT (0.41) CYP3A4CYP1A2HSD17B10HTTALDH1A1
SCHEMBL8608345 0.75 BAZ2B (0.41) HSD11B1CYP3A4CYP1A2HSD17B10HTT

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 3 patents. 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
EP-1432698-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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 HSD11B1 28/4885CYP3A4 98/4885CYP2D6 120/4885

“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.