SCHEMBL4196862

SCHEMBL4196862

Cc1cc(Nc2cc(NC3CCOCC3)nc(-c3cccc(N(C)C)c3)n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.41
LRRK2 Q5S007 1/20 0.40
PLK4 O00444 3/20 0.39
PAK4 O96013 1/20 0.39
AURKA O14965 5/20 0.38
AURKB Q96GD4 3/20 0.38
SRC P12931 2/20 0.38
GSK3B P49841 2/20 0.38
EIF2AK2 P19525 1/20 0.38
GSK3A P49840 1/20 0.38
JAK3 P52333 3/20 0.37
TYK2 P29597 1/20 0.37
NTRK1 P04629 2/20 0.37
EGFR P00533 1/20 0.37
IGF1R P08069 1/20 0.37
JAK1 P23458 1/20 0.36
CARM1 Q86X55 2/20 0.36
RIPK1 Q13546 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
SCHEMBL13945144 0.89 IGF1R (0.41) ITKPLK4PAK4AURKAAURKB
SCHEMBL13945056 0.88 ITK (0.44) ITKPLK4PAK4AURKAAURKB
SCHEMBL4202673 0.87 ITK (0.48) ITKPLK4PAK4AURKAAURKB
SCHEMBL13945040 0.87 ITK (0.55) ITKPLK4PAK4AURKAAURKB
SCHEMBL4189856 0.87 AURKA (0.45) ITKPLK4PAK4AURKAAURKB
SCHEMBL4199587 0.87 PIM1 (0.46) ITKPLK4PAK4AURKAAURKB
SCHEMBL4196328 0.85 ITK (0.53) ITKPLK4PAK4AURKAAURKB
SCHEMBL4210565 0.85 CYP1A2 (0.49) ITKPLK4PAK4AURKAAURKB
SCHEMBL13945137 0.85 ITK (0.41) ITKPLK4PAK4AURKAAURKB
SCHEMBL13945167 0.84 PIM1 (0.49) ITKPLK4PAK4AURKAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-01-29 US disclosed
US-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-01-29 US disclosed
US-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-01-29 US disclosed
WO-2008154026-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2008-12-18 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-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB ITK 962/4885LRRK2 598/4885PLK4 82/4885

“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.