SCHEMBL20801795

SCHEMBL20801795

CC(C)c1ccc2ncc(C=O)n2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RXRA P19793 1/20 0.32
DGAT1 O75907 1/20 0.32
CLK1 P49759 2/20 0.31
EGLN1 Q9GZT9 1/20 0.30
EIF2AK4 Q9P2K8 1/20 0.30

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
SCHEMBL3707769 0.78 CYP1A2 (0.53) CYP1A2CYP2C9
SCHEMBL15829273 0.77 TNKS (0.38) CYP1A2CYP2C9DGAT1EIF2AK4
SCHEMBL23775720 0.77 KDM4E (0.38) TYRCYP1A2CYP2C9RXRADGAT1
SCHEMBL13976120 0.76 LMNA (0.39) CYP1A2CYP2C9RXRADGAT1CLK1
SCHEMBL22521532 0.76 TGFBR1 (0.41) CYP1A2CYP2C9RXRADGAT1CLK1
SCHEMBL22944713 0.75 NPC1 (0.35) CYP1A2CYP2C9DGAT1CLK1
SCHEMBL1865755 0.75 MAP3K14 (0.43) CYP1A2CYP2C9CLK1
SCHEMBL23511269 0.75 DGAT1 (0.40) CYP1A2CYP2C9DGAT1CLK1EGLN1
SCHEMBL3787763 0.75 ADORA2A (0.40)
SCHEMBL5100079 0.75 POLB (0.47) EIF2AK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 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 (2 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-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2158/4885CYP1A2 252/4885CYP2C9 357/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2127/4885CYP1A2 280/4885CYP2C9 377/4885

“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.