SCHEMBL4084380

SCHEMBL4084380

CNC(=O)Nc1cc(-c2cccc(NC(=O)NCC#CC(C)(C)C)c2C)cn2ccnc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.45
HDAC6 Q9UBN7 2/20 0.37
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CFD P00746 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHB4 P54760 4/20 0.33
KMT2A Q03164 1/20 0.32
CD274 Q9NZQ7 2/20 0.32
PDCD1 Q15116 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL4090096 0.88 BTK (0.43) BTKHDAC6TLR9TLR8TLR7
SCHEMBL13771751 0.88 BTK (0.47) BTKHDAC6TLR9TLR8TLR7
SCHEMBL4090219 0.81 CFD (0.42) HDAC6TLR9TLR8TLR7CFD
SCHEMBL2999693 0.81 BTK (0.65) BTKKMT2A
SCHEMBL4095817 0.80 BTK (0.58) BTKHDAC6RAF1BRAF
SCHEMBL4080605 0.80 BTK (0.43) BTKHDAC6TLR9TLR8TLR7
SCHEMBL4087271 0.79 BTK (0.55) BTKHDAC6RAF1BRAF
SCHEMBL13771312 0.79 BTK (0.55) BTKHDAC6RAF1BRAF
SCHEMBL13821341 0.79 BTK (0.54) BTKHDAC6RAF1BRAF
SCHEMBL13765441 0.79 BTK (0.49) BTKPOLBKMT2ACD274PDCD1

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 BTK 1/4885HDAC6 1266/4885TLR9 530/4885

“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.