SCHEMBL3436663

SCHEMBL3436663

CCCNC(=O)c1coc(-c2ccnc(NC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.43
SREBF2 Q12772 1/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TGFBR1 P36897 1/20 0.39
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL29505431 0.85 IRAK4 (0.44) IRAK4SREBF2HDAC1HDAC6HDAC8
SCHEMBL13162322 0.85 IRAK4 (0.44) IRAK4SREBF2HDAC1HDAC6HDAC8
SCHEMBL29613007 0.84 TGFBR1 (0.42) IRAK4SREBF2TGFBR1AAK1
SCHEMBL16698999 0.84 TGFBR1 (0.42) IRAK4SREBF2TGFBR1AAK1
SCHEMBL31268286 0.84 IRAK4 (0.43) IRAK4SREBF2HDAC1HDAC6HDAC8
SCHEMBL2080592 0.84 IRAK4 (0.43) IRAK4SREBF2HDAC1HDAC6HDAC8
SCHEMBL13634380 0.82 TGFBR1 (0.48) IRAK4SREBF2TGFBR1AAK1
SCHEMBL13270402 0.82 IRAK4 (0.42) IRAK4SREBF2HDAC1HDAC6HDAC8
SCHEMBL3436665 0.80 IRAK4 (0.46) IRAK4HDAC1HDAC6HDAC8
SCHEMBL13634775 0.80 IRAK4 (0.40) IRAK4

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 IRAK4 199/4885SREBF2 4721/4885HDAC1 372/4885

“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.