SCHEMBL13675351

SCHEMBL13675351

C/C=C\C(\C=C\c1nccc(Nc2cc(C)[nH]n2)n1)=C/C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.49
AURKA O14965 9/20 0.43
AURKB Q96GD4 8/20 0.43
KDR P35968 9/20 0.43
FGFR1 P11362 7/20 0.43
IGF1R P08069 7/20 0.43
EGFR P00533 4/20 0.42
SRC P12931 5/20 0.37
INSR P06213 3/20 0.37
GSK3B P49841 3/20 0.37
PLK4 O00444 2/20 0.37
ABL1 P00519 2/20 0.37
NTRK1 P04629 2/20 0.37
LCK P06239 2/20 0.37
CSF1R P07333 2/20 0.37
RET P07949 2/20 0.37
KIT P10721 2/20 0.37
PDGFRA P16234 2/20 0.37
TYK2 P29597 2/20 0.37
FLT3 P36888 2/20 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
SCHEMBL13675364 0.86 ITK (0.56) ITKAURKAAURKBKDRFGFR1
SCHEMBL13675332 0.77 ITK (0.62) ITKAURKAAURKBKDRFGFR1
SCHEMBL18154707 0.72 ITK (0.65) ITKAURKAAURKBKDRFGFR1
SCHEMBL30230471 0.72 ITK (0.65) ITKAURKAAURKBKDRFGFR1
SCHEMBL2120764 0.70 ITK (0.62) ITKAURKAAURKBKDRFGFR1
SCHEMBL29537888 0.70 ITK (0.62) ITKAURKAAURKBKDRFGFR1
SCHEMBL18154778 0.68 ITK (0.59) ITKAURKAAURKBKDRFGFR1
SCHEMBL18297005 0.67 ITK (0.58) ITKAURKAAURKBKDRFGFR1
SCHEMBL802275 0.66 ITK (1.00) ITKAURKAAURKBKDRFGFR1
SCHEMBL18154760 0.66 ITK (0.56) ITKAURKAAURKBKDRFGFR1

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-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 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-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB ITK 1059/4885AURKA 2/4885AURKB 3/4885

“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.