SCHEMBL13675332

SCHEMBL13675332

Cc1cc(Nc2ccnc(/C=C/c3ccccc3)n2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.62
AURKA O14965 12/20 0.59
AURKB Q96GD4 10/20 0.59
KDR P35968 8/20 0.59
FGFR1 P11362 6/20 0.59
SRC P12931 6/20 0.59
GSK3B P49841 6/20 0.59
GSK3A P49840 4/20 0.59
ABL1 P00519 3/20 0.59
LCK P06239 3/20 0.59
CSF1R P07333 3/20 0.59
RET P07949 3/20 0.59
FLT3 P36888 3/20 0.59
PTK2 Q05397 3/20 0.59
PLK4 O00444 2/20 0.59
NTRK1 P04629 2/20 0.59
KIT P10721 2/20 0.59
PDGFRA P16234 2/20 0.59
TYK2 P29597 2/20 0.59
MAP4K5 Q9Y4K4 2/20 0.59

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 0.84 ITK (0.56) ITKAURKAAURKBKDRFGFR1
SCHEMBL10122874 0.84 AURKA (0.66) ITKAURKAAURKBKDRFGFR1
SCHEMBL10122920 0.82 AURKA (0.65) ITKAURKAAURKBKDRFGFR1
SCHEMBL10122908 0.82 AURKA (0.58) ITKAURKAAURKBKDRFGFR1
SCHEMBL10123180 0.81 AURKA (0.64) ITKAURKAAURKBKDRFGFR1
SCHEMBL13675323 0.81 AURKA (0.64) ITKAURKAAURKBKDRFGFR1
SCHEMBL10122913 0.81 AURKA (0.60) ITKAURKAAURKBKDRFGFR1
SCHEMBL10122950 0.81 AURKA (0.62) ITKAURKAAURKBKDRFGFR1
SCHEMBL10122949 0.80 AURKA (0.59) ITKAURKAAURKBKDRFGFR1
SCHEMBL10122947 0.80 AURKA (0.61) 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.