SCHEMBL3870962

SCHEMBL3870962

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)c[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.70
ITK Q08881 5/20 0.55
KIT P10721 1/20 0.55
SRC P12931 1/20 0.55
FLT3 P36888 1/20 0.55
PPARG P37231 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
DHPS P49366 1/20 0.42
BMX P51813 1/20 0.42

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
SCHEMBL171935 0.91 BTK (0.59) BTKITKKITSRCFLT3
SCHEMBL13894013 0.89 BTK (0.56) BTKITKKITSRCFLT3
SCHEMBL171471 0.83 BTK (0.67) BTKITKKITSRCFLT3
SCHEMBL104216 0.83 BTK (1.00) BTK
SCHEMBL171445 0.81 BTK (0.48) BTKITKKITSRCFLT3
SCHEMBL13893949 0.81 ITK (0.57) BTKITKKITSRCFLT3
SCHEMBL3658579 0.80 BTK (0.55) BTKITKKITSRCFLT3
SCHEMBL3000846 0.78 BTK (0.70) BTK
SCHEMBL13894122 0.78 ITK (0.54) BTKITKKITSRCFLT3
SCHEMBL13894290 0.77 ITK (0.58) BTKITKKITSRCFLT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US claimed

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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN BTK 1/4885ITK 269/4885KIT 647/4885

“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.