SCHEMBL10193031

SCHEMBL10193031

CC(C)Nc1cc(Br)nn(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.45
HTT P42858 1/20 0.33
FGFR1 P11362 1/20 0.30
AOC3 Q16853 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL14926166 0.71 PDE10A (0.37) HTT
SCHEMBL24375398 0.70 KAT2B (0.39) KAT2B
SCHEMBL26906263 0.64 PHGDH (0.48)
SCHEMBL19209835 0.63
SCHEMBL21238657 0.62 KAT2B (0.42) KAT2B
SCHEMBL15740517 0.61 UHRF1 (0.35) KAT2BHTTAOC3
SCHEMBL24607763 0.61 AOC1 (0.34) KAT2BHTTAOC3
SCHEMBL19015055 0.61 LMNA (0.33) KAT2BHTTAOC3
SCHEMBL20519442 0.61 RECQL (0.34)
SCHEMBL29844749 0.61 RECQL (0.34)

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-8124604-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-02-28 US disclosed
US-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2011-05-05 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-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN KAT2B 3871/4885HTT 4575/4885FGFR1 1168/4885

“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.