SCHEMBL4095334

SCHEMBL4095334

Cc1c(C(N)=O)cccc1-c1cc(NC(=O)NCCCN(C)C)c2nccn2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHUK O15111 2/20 0.36
INSR P06213 2/20 0.36
MAPK8 P45983 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
ALK Q9UM73 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLR1A O95602 2/20 0.34
CFD P00746 1/20 0.34
SYK P43405 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
RAD52 P43351 1/20 0.33
PARP1 P09874 1/20 0.33
HTT P42858 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
SCHEMBL4095342 0.90 BTK (0.39) BTKHDAC6MEN1KMT2ACHUK
SCHEMBL4080189 0.87 BTK (0.44) BTKHDAC6CFD
SCHEMBL4080600 0.84 BTK (0.42) BTKHDAC6CFDSYK
SCHEMBL4081138 0.83 BTK (0.58) BTKHDAC6SYK
SCHEMBL4080694 0.81 BTK (0.49) BTKHDAC6MEN1KMT2APDCD1
SCHEMBL4085015 0.80 BTK (0.49) BTKHDAC6RAD52
SCHEMBL13765439 0.79 BTK (0.41) BTKHDAC6PDCD1CD274HRH3
SCHEMBL4086332 0.78 BTK (0.48) BTKHDAC6PDCD1CD274
SCHEMBL4080195 0.76 BTK (0.45) BTKHDAC6CFD
SCHEMBL2996263 0.76 HDAC6 (0.41) BTKHDAC6MAPK8SYKMKNK2

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 BTK 1/4885HDAC6 1266/4885MEN1 4752/4885

“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.