SCHEMBL5954883

SCHEMBL5954883

CC1(C)C(=O)N(CC(=O)N2CCOCC2)c2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.50
FLT1 P17948 5/20 0.50
HTT P42858 1/20 0.44
ITK Q08881 2/20 0.43
CXCR3 P49682 1/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
FLT3 P36888 7/20 0.41
PDPK1 O15530 2/20 0.40
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
CHUK O15111 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 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
SCHEMBL5954962 0.92 ITK (0.44) FGFR1FLT1ITKCXCR3AURKA
SCHEMBL5954308 0.91 FGFR1 (0.51) FGFR1FLT1ITKCXCR3AURKA
SCHEMBL4896780 0.86 ITK (0.47) FGFR1FLT1ITKCXCR3AURKA
SCHEMBL4880110 0.85 ITK (0.46) FGFR1FLT1ITKCXCR3AURKA
SCHEMBL5189620 0.85 FGFR1 (0.51) FGFR1FLT1ITKAURKAAURKB
SCHEMBL5954320 0.85 FGFR1 (0.49) FGFR1FLT1ITKAURKAAURKB
SCHEMBL5189501 0.84 ITK (0.45) FGFR1FLT1ITKCXCR3AURKA
SCHEMBL4140608 0.83 AURKA (0.61) FGFR1HTTITKCXCR3AURKA
SCHEMBL4891211 0.83 ITK (0.45) FGFR1FLT1ITKCXCR3AURKA
SCHEMBL4895191 0.82 ALDH1A1 (0.47) FGFR1FLT1ITKCXCR3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 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-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 FGFR1 2228/4885FLT1 4208/4885HTT 756/4885

“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.