SCHEMBL4885470

SCHEMBL4885470

CC1(C)CC(=O)Nc2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.51
FLT1 P17948 9/20 0.51
PDPK1 O15530 5/20 0.50
CHEK1 O14757 4/20 0.50
ITK Q08881 2/20 0.50
ABL1 P00519 2/20 0.50
AURKA O14965 2/20 0.50
AURKB Q96GD4 2/20 0.50
JAK2 O60674 2/20 0.50
CDK2 P24941 2/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
PLK4 O00444 1/20 0.50
CHUK O15111 1/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 1/20 0.50
NTRK1 P04629 1/20 0.50
PRKCG P05129 1/20 0.50

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
SCHEMBL9378253 0.81 PDE4A (0.54) AURKAAURKBCHEK2PDE4APDE4B
SCHEMBL9380164 0.80 ESR1 (0.47) FGFR1CHEK1AURKAAURKBKDR
SCHEMBL5192052 0.80 AURKA (0.55) FGFR1FLT1PDPK1CHEK1ITK
SCHEMBL9378130 0.78 KDM4E (0.52) AURKAAURKBKDRPDE4APDE4B
SCHEMBL9703652 0.78 PDE4A (0.40) FGFR1FLT1AURKAAURKBKDR
SCHEMBL9382393 0.78 PDE4A (0.47) AURKAAURKBCHEK2KDRPDE4A
SCHEMBL9385715 0.78 CBFB (0.54)
SCHEMBL4952077 0.77 AURKA (0.69) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL4951083 0.77 AURKA (0.48) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL5189472 0.77 FGFR1 (0.46) FGFR1FLT1PDPK1CHEK1ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A 2008-07-10 JP claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US claimed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO 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 4208/4885PDPK1 2511/4885

“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.