SCHEMBL10263449

SCHEMBL10263449

Cc1cc(Nc2ccc(OC(C)(C)CN3CCC3)cn2)c(=O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.40
PDE10A Q9Y233 6/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ACVR1B P36896 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
PIK3CA P42336 3/20 0.34
PRKDC P78527 3/20 0.34
HRH3 Q9Y5N1 4/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL609693 0.90 BTK (0.42) BTKPDE10AACVR1BACVRL1ACVR1
SCHEMBL18872617 0.89 BTK (0.40) BTKPDE10AHTR1AADRA1DADRA1A
SCHEMBL10263468 0.85 BTK (0.48) BTKPDE10AHTR1AADRA1DADRA1A
SCHEMBL10201997 0.84 BTK (0.39) BTKPDE10A
SCHEMBL14696705 0.80 BTK (0.40) BTKPDE10APIK3CAPRKDC
SCHEMBL19593954 0.78 PPARA (0.42) BTKPDE10A
SCHEMBL607786 0.76 BTK (0.48) BTKPDE10A
SCHEMBL16248091 0.75 BTK (0.41) BTKPDE10A
SCHEMBL18872611 0.75 BTK (0.36) BTKPDE10A
SCHEMBL610812 0.74 BTK (0.39) BTKPDE10AKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885PDE10A 867/4885HTR1A 3428/4885

“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.