SCHEMBL13945166

SCHEMBL13945166

Cc1cc(Nc2cc(NC3CCOCC3)nc(-c3ccc(C(F)(F)F)cc3)n2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
PTGS2 P35354 4/20 0.45
KCNH2 Q12809 1/20 0.41
ITK Q08881 1/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
NTRK1 P04629 2/20 0.39
PLK4 O00444 2/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
PIM1 P11309 2/20 0.39
PAK4 O96013 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL4191991 0.91 RET (0.42) DHODHPTGS2ITKJAK1TYK2
SCHEMBL13945167 0.90 PIM1 (0.49) DHODHPTGS2ITKJAK1TYK2
SCHEMBL4196002 0.89 AURKA (0.47) PTGS2ITKNTRK1PLK4FGFR2
SCHEMBL13945054 0.89 ITK (0.44) PTGS2ITKNTRK1PLK4FGFR2
SCHEMBL13945160 0.88 AURKA (0.48) ITKNTRK1PLK4FGFR2FGFR3
SCHEMBL4197055 0.87 PLK4 (0.45) PTGS2ITKNTRK1PLK4FGFR2
SCHEMBL4196328 0.87 ITK (0.53) ITKPLK4PAK4
SCHEMBL13945040 0.87 ITK (0.55) ITKPLK4PAK4
SCHEMBL4197962 0.85 AURKA (0.46) ITKNTRK1PLK4FGFR2FGFR3
SCHEMBL13945144 0.85 IGF1R (0.41) PTGS2ITKJAK1TYK2JAK3

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 3 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
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 DHODH 2460/4885PTGS2 3605/4885KCNH2 2657/4885

“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.