SCHEMBL4096461

SCHEMBL4096461

Cc1c(C(N)=O)cccc1-c1cc(NC(=O)NCCC#N)c2nccn2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.43
BTK Q06187 3/20 0.38
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAP4K2 Q12851 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL4096467 0.90 SYK (0.39) SYKBTKRAF1BRAFMEN1
SCHEMBL4093079 0.88 SYK (0.46) SYKBTKKDM4EMAP4K2MEN1
SCHEMBL4090596 0.85 SYK (0.48) SYKBTKKDM4EMEN1PKM
SCHEMBL13765426 0.79 BTK (0.42) SYKBTKRAF1BRAF
SCHEMBL4093084 0.77 SYK (0.42) SYKBTK
SCHEMBL4090599 0.73 SYK (0.44) SYKBTK
SCHEMBL4086768 0.72 BTK (0.61) SYKBTKMEN1KMT2A
SCHEMBL4086761 0.72 BTK (0.54) SYKBTKRAF1BRAF
SCHEMBL13771582 0.70 BTK (0.52) SYKBTKRAF1BRAFKMT2A
SCHEMBL4080189 0.70 BTK (0.44) BTKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN SYK 2/4885BTK 1/4885RAF1 99/4885

“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.