SCHEMBL12025083

SCHEMBL12025083

Cc1cc(Nc2cc(N3CCCC(NC(=O)OC(C)(C)C)C3)nn(COCC[Si](C)(C)C)c2=O)nn1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
BTK Q06187 3/20 0.39
JAK3 P52333 2/20 0.39
MAP4K4 O95819 2/20 0.39
AURKA O14965 3/20 0.38
PDPK1 O15530 3/20 0.38
AURKB Q96GD4 3/20 0.38
DPP4 P27487 5/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
RET P07949 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KIF18A Q8NI77 1/20 0.36
F10 P00742 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
SCHEMBL12025066 0.88 BTK (0.40) SYKBTKJAK3EGFRLCK
SCHEMBL12025081 0.78 BTK (0.44) SYKBTKJAK3MAP4K4AURKA
SCHEMBL173652 0.73 ALDH1A1 (0.38) BTK
SCHEMBL2490832 0.71 BTK (0.47) SYKBTKJAK3EGFRLCK
SCHEMBL2490830 0.71 BTK (0.47) SYKBTKJAK3EGFRLCK
SCHEMBL12045171 0.68 SYK (0.44) SYKBTKJAK3EGFRLCK
SCHEMBL2490136 0.66 BTK (0.46) SYKBTK
SCHEMBL30599827 0.66 MET (0.43) BTKJAK3RETPDE10A
SCHEMBL14800060 0.66 MAP4K4 (0.40) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL14800059 0.66 MAP4K4 (0.40) BTKJAK3MAP4K4AURKAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK SYK 2/4885BTK 1/4885JAK3 89/4885

“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.