SCHEMBL4886259

SCHEMBL4886259

CC(C)N1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.48
FLT1 P17948 9/20 0.48
PDPK1 O15530 4/20 0.47
CDK2 P24941 3/20 0.47
JAK2 O60674 3/20 0.47
TYK2 P29597 3/20 0.47
JAK3 P52333 3/20 0.47
ITK Q08881 2/20 0.47
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
ABL1 P00519 2/20 0.47
CHEK1 O14757 2/20 0.47
PAK4 O96013 2/20 0.47
PLK4 O00444 1/20 0.47
CHUK O15111 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
NTRK1 P04629 1/20 0.47
PRKCG P05129 1/20 0.47

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
SCHEMBL4888954 0.87 FGFR1 (0.51) FGFR1FLT1PDPK1CDK2JAK2
SCHEMBL4891227 0.86 ITK (0.45) FGFR1FLT1PDPK1CDK2JAK2
SCHEMBL4891748 0.86 PAK4 (0.43) FGFR1FLT1PDPK1CDK2PAK4
SCHEMBL5287383 0.85 ITK (0.43) FGFR1FLT1PDPK1CDK2JAK2
SCHEMBL4914751 0.84 AURKA (0.59) FGFR1FLT1PDPK1CDK2JAK2
SCHEMBL5189724 0.84 AURKA (0.43) FGFR1FLT1PDPK1CDK2AURKA
SCHEMBL5189400 0.83 ITK (0.45) FGFR1FLT1PDPK1CDK2JAK2
SCHEMBL4894195 0.83 AURKA (0.50) FGFR1FLT1PDPK1CDK2JAK2
SCHEMBL5954843 0.82 AURKA (0.44) FGFR1FLT1PDPK1CDK2JAK2
SCHEMBL5954198 0.82 AURKA (0.47) FGFR1FLT1PDPK1CDK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A 2008-07-10 JP claimed
EP-1644335-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP 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
EP-1644335-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP claimed
WO-2005007628-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US disclosed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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-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.