Sugi Predict

Sugi Predict / Compounds / SCHEMBL4889880

SCHEMBL4889880

SCHEMBL4889880

CN(C)CCNC(=O)CN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ ITK Q08881 2/20 0.40
▸ PAK4 O96013 3/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ FLT3 P36888 6/20 0.40
▸ FGFR1 P11362 8/20 0.39
▸ FLT1 P17948 8/20 0.39
▸ CHEK1 O14757 4/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ RET P07949 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ GSK3A P49840 2/20 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
SCHEMBL5954096 0.89 ITGB3 (0.44) AURKAAURKBITKPAK4CDK2
SCHEMBL5189501 0.88 ITK (0.45) AURKAAURKBITKPAK4CDK2
SCHEMBL4894368 0.86 TP53 (0.45) AURKAAURKBITKPAK4CDK2
SCHEMBL4888758 0.86 ITGB3 (0.42) AURKAAURKBITKPAK4CDK2
SCHEMBL4889015 0.86 AURKA (0.43) AURKAAURKBITKPAK4CDK2
SCHEMBL4942129 0.85 AURKA (0.40) AURKAAURKBITKPAK4CDK2
SCHEMBL4896780 0.85 ITK (0.47) AURKAAURKBITKPAK4CDK2
SCHEMBL5954696 0.85 TSHR (0.41) AURKAAURKBITKFGFR1FLT1
SCHEMBL4893591 0.85 AURKA (0.40) AURKAAURKBITKPAK4CDK2
SCHEMBL5955081 0.85 AURKA (0.44) AURKAAURKBITKPAK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A — — 2008-07-10 — — JP claimed
CN-101080408-A Trycyclic heterocycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-11-28 — — CN 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
CN-101080408-A Trycyclic heterocycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-11-28 — — CN disclosed
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 AURKA 2529/4885AURKB 2155/4885ITK 1964/4885

“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.