SCHEMBL4090219

SCHEMBL4090219

CNC(=O)Nc1cc(-c2cccc(CC(=O)NCC#CC(C)(C)C)c2)cn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.42
TMIGD3 P0DMS9 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
EPHB4 P54760 14/20 0.36
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL13771501 0.88 CFD (0.44) CFDTMIGD3HDAC6EPHB4TLR9
SCHEMBL4084380 0.81 BTK (0.45) CFDHDAC6EPHB4TLR9TLR8
SCHEMBL4093100 0.77 BTK (0.47)
SCHEMBL4086014 0.77 CFD (0.46) CFDTMIGD3HDAC6EPHB4
SCHEMBL4090459 0.76 CFD (0.41) CFDTMIGD3HDAC6EPHB4TLR9
SCHEMBL2992603 0.76 ALDH1A1 (0.46) CFDTMIGD3EPHB4RET
SCHEMBL4090096 0.74 BTK (0.43) HDAC6EPHB4TLR9TLR8TLR7
SCHEMBL4090512 0.70 BTK (0.45)
SCHEMBL13771751 0.70 BTK (0.47) HDAC6EPHB4TLR9TLR8TLR7
SCHEMBL4080605 0.67 BTK (0.43) CFDHDAC6EPHB4TLR9TLR8

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
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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 CFD 3770/4885TMIGD3 4224/4885HDAC6 1266/4885

“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.