Sugi Predict

Sugi Predict / Compounds / SCHEMBL4947391

SCHEMBL4947391

SCHEMBL4947391

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5c4CN(C(=O)Cc4cccs4)C5)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ CHEK1 O14757 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ ITK Q08881 13/20 0.35
▸ IL2 P60568 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL4946046 0.89 AURKA (0.42) AURKAAURKBABL1BCRPLK1
SCHEMBL4948961 0.85 AURKA (0.53) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4943760 0.82 AURKA (0.50) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4948590 0.81 AURKA (0.46) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4948188 0.80 AURKA (0.45) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4943995 0.78 AURKA (0.47) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4943724 0.77 AURKA (0.50) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4948420 0.77 AURKA (0.46) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4944597 0.76 AURKA (0.56) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4948192 0.76 AURKA (0.58) AURKAAURKBCHEK1SRCCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 — — EP claimed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 — — US claimed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 — — EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 — — EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 — — WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 — — 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 AURKA 1207/4885AURKB 1249/4885ABL1 244/4885

“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.