SCHEMBL4096542

SCHEMBL4096542

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2C)cn2ccnc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.55
HDAC6 Q9UBN7 3/20 0.42
EGFR P00533 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
FLT3 P36888 1/20 0.37
ITK Q08881 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL4095924 0.92 BTK (0.49) BTKHDAC6EGFRBMXJAK3
SCHEMBL4080570 0.91 BTK (0.52) BTKHDAC6EGFRBMXJAK3
SCHEMBL4086332 0.90 BTK (0.48) BTKHDAC6EGFRBMXJAK3
SCHEMBL3000846 0.89 BTK (0.70) BTKHDAC6
SCHEMBL13771351 0.89 BTK (0.56) BTKHDAC6MAPT
SCHEMBL4089918 0.86 BTK (0.48) BTKEGFRBMXJAK3
SCHEMBL4095443 0.85 BTK (0.55) BTKEGFRBMXJAK3ALDH1A1
SCHEMBL4084871 0.83 BTK (0.51) BTKNPC1ALDH1A1LMNAMAPT
SCHEMBL4080285 0.83 BTK (0.61) BTKHDAC6
SCHEMBL4080195 0.81 BTK (0.45) BTKHDAC6

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 7 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-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
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
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 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 1266/4885EGFR 898/4885

“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.