SCHEMBL5954320

SCHEMBL5954320

CC1(C)C(=O)N(CC(O)CN2CCOCC2)c2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.49
FLT1 P17948 8/20 0.49
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
ITK Q08881 2/20 0.40
TSHR P16473 1/20 0.40
PDPK1 O15530 2/20 0.39
DRD2 P14416 4/20 0.38
HTR7 P34969 4/20 0.38
FLT3 P36888 2/20 0.38
ABL1 P00519 2/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
CHUK O15111 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
NTRK1 P04629 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
SCHEMBL5189400 0.87 ITK (0.45) FGFR1FLT1AURKAAURKBITK
SCHEMBL5189620 0.87 FGFR1 (0.51) FGFR1FLT1AURKAAURKBITK
SCHEMBL5954883 0.85 FGFR1 (0.50) FGFR1FLT1AURKAAURKBITK
SCHEMBL4914751 0.81 AURKA (0.59) FGFR1FLT1AURKAAURKBITK
SCHEMBL5206137 0.80 ITK (0.47) FGFR1FLT1AURKAAURKBITK
SCHEMBL4896780 0.80 ITK (0.47) FGFR1FLT1AURKAAURKBITK
SCHEMBL4894195 0.80 AURKA (0.50) FGFR1FLT1AURKAAURKBITK
SCHEMBL4883856 0.79 FGFR1 (0.47) FGFR1FLT1AURKAAURKBITK
SCHEMBL4880110 0.79 ITK (0.46) FGFR1FLT1AURKAAURKBITK
SCHEMBL5954216 0.79 FGFR1 (0.56) FGFR1FLT1AURKAAURKBITK

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 4208/4885AURKA 2529/4885

“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.