SCHEMBL4086309

SCHEMBL4086309

Cc1c(NC(=O)N(CCC#N)Cc2ccccc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2nccn2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.54
CLK2 P49760 1/20 0.43
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
SRC P12931 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SYK P43405 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL4086267 0.93 BTK (0.56) BTKCLK2KDM4ERAB9ASRC
SCHEMBL13821662 0.92 BTK (0.56) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4090488 0.87 BTK (0.58) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4081137 0.87 BTK (0.61) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4090079 0.87 BTK (0.62) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4090568 0.85 BTK (0.61) BTKCLK2KDM4ERAB9ASYK
SCHEMBL13821665 0.84 BTK (0.58) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4086724 0.84 BTK (0.61) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4090713 0.84 BTK (0.59) BTKCLK2KDM4ERAB9ASRC
SCHEMBL4091647 0.83 BTK (0.60) BTKCLK2KDM4ERAB9ASRC

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 8 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-20140209875-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 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-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 1/4885CLK2 351/4885KDM4E 738/4885

“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.