SCHEMBL4095342

SCHEMBL4095342

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HRH3 Q9Y5N1 1/20 0.35
PIK3CD O00329 1/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
ATM Q13315 1/20 0.34
SYK P43405 1/20 0.34
EPHB4 P54760 1/20 0.34
ALOX15 P16050 1/20 0.34
RAD52 P43351 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
QPCT Q16769 1/20 0.33
ALK Q9UM73 1/20 0.33
CHUK O15111 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
SCHEMBL4095334 0.90 BTK (0.38) BTKMEN1KMT2AHDAC6HRH3
SCHEMBL4080195 0.86 BTK (0.45) BTKHDAC6EPHB4
SCHEMBL4081138 0.84 BTK (0.58) BTKHDAC6SYK
SCHEMBL4080605 0.83 BTK (0.43) BTKHDAC6SYKEPHB4POLB
SCHEMBL4080694 0.82 BTK (0.49) BTKMEN1KMT2AHDAC6L3MBTL1
SCHEMBL4085015 0.81 BTK (0.49) BTKHDAC6L3MBTL1RAD52
SCHEMBL13765439 0.81 BTK (0.41) BTKHDAC6HRH3SYKPDCD1
SCHEMBL4086332 0.79 BTK (0.48) BTKHDAC6PDCD1CD274
SCHEMBL4095924 0.77 BTK (0.49) BTKHDAC6PDCD1CD274
SCHEMBL4086250 0.76 BTK (0.42) BTKHDAC6KDM4EL3MBTL1RAD52

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 1/4885MEN1 4752/4885KMT2A 1922/4885

“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.