SCHEMBL22601550

SCHEMBL22601550

Cc1cc(C2CCOCC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
TLR9 Q9NR96 9/20 0.42
TLR7 Q9NYK1 9/20 0.42
TLR8 Q9NR97 8/20 0.42
IDO1 P14902 1/20 0.42
UHRF1 Q96T88 1/20 0.41
USP30 Q70CQ3 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
HTR1D P28221 1/20 0.36
CASP3 P42574 1/20 0.36
CDK9 P50750 1/20 0.36
CASP7 P55210 1/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL9277352 0.87 IDO1 (0.50) TLR9TLR7TLR8IDO1UHRF1
SCHEMBL12093732 0.83 IDO1 (0.45) TLR9TLR7TLR8IDO1UHRF1
SCHEMBL12093743 0.83 IDO1 (0.45) TLR9TLR7TLR8IDO1UHRF1
Cyanide SCHEMBL27912025 0.81 IDO1 (0.47) TLR9TLR7TLR8IDO1UHRF1
SCHEMBL22402327 0.81 IDO1 (0.44) TLR9TLR7TLR8IDO1UHRF1
SCHEMBL11390639 0.81 PIK3CD (0.42) TLR9TLR7TLR8PIK3CDPIK3CA
SCHEMBL5584522 0.80 IDO1 (0.43) TLR9TLR7TLR8IDO1UHRF1
SCHEMBL29210003 0.79 TLR9 (0.46) TLR9TLR7TLR8CASP3CDK9
SCHEMBL21213950 0.79 PDE10A (0.40) TLR9TLR7TLR8IDO1UHRF1
SCHEMBL23660437 0.79 IDO1 (0.48) TLR9TLR7TLR8IDO1UHRF1

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK PDE2A 47/4885TLR9 4522/4885TLR7 4136/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 PDE2A 1636/4885TLR9 2714/4885TLR7 2820/4885

“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.