SCHEMBL4090596

SCHEMBL4090596

CNC(=O)Nc1cc(-c2cccc(C(N)=O)c2C)nn2ccnc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.48
BTK Q06187 1/20 0.42
IKBKB O14920 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 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
SCHEMBL4093079 0.89 SYK (0.46) SYKBTKKDM4EIRAK4MEN1
SCHEMBL4090599 0.88 SYK (0.44) SYKBTKPOLBTDP1
SCHEMBL4096461 0.85 SYK (0.43) SYKBTKKDM4EIRAK4MEN1
SCHEMBL4080600 0.80 BTK (0.42) SYKBTKIKBKBKDM4EPOLB
SCHEMBL4090528 0.79 BTK (0.65) SYKBTKMEN1KMT2A
SCHEMBL4090445 0.79 BTK (0.54) SYKBTK
SCHEMBL4091766 0.79 BTK (0.58) SYKBTK
SCHEMBL4084365 0.78 SYK (0.52) SYK
SCHEMBL4086089 0.78 BTK (0.52) SYKBTKPOLBTDP1MEN1
SCHEMBL4081255 0.77 BTK (0.55) SYKBTK

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 1/4885IKBKB 50/4885

“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.