SCHEMBL4189856

SCHEMBL4189856

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.45
AURKB Q96GD4 5/20 0.45
RET P07949 2/20 0.43
PLK4 O00444 5/20 0.43
NTRK1 P04629 4/20 0.43
ITK Q08881 1/20 0.43
SRC P12931 1/20 0.41
EIF2AK2 P19525 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
PAK4 O96013 2/20 0.40
CCNT1 O60563 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL13945056 0.90 ITK (0.44) AURKAAURKBPLK4NTRK1ITK
SCHEMBL4202673 0.89 ITK (0.48) AURKAAURKBPLK4ITKSRC
SCHEMBL4196002 0.89 AURKA (0.47) AURKAAURKBRETPLK4NTRK1
SCHEMBL13945040 0.89 ITK (0.55) AURKAAURKBPLK4ITKSRC
SCHEMBL4199587 0.88 PIM1 (0.46) AURKAAURKBPLK4NTRK1ITK
SCHEMBL13969362 0.88 PLK4 (0.44) RETPLK4NTRK1ITKPAK4
SCHEMBL13945167 0.88 PIM1 (0.49) AURKAPLK4NTRK1ITKGSK3B
SCHEMBL4196328 0.87 ITK (0.53) AURKAAURKBRETPLK4ITK
SCHEMBL4210565 0.87 CYP1A2 (0.49) AURKAAURKBPLK4ITKPAK4
SCHEMBL4196862 0.87 ITK (0.41) AURKAAURKBPLK4NTRK1ITK

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 AURKA 2/4885AURKB 3/4885RET 1222/4885

“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.