SCHEMBL4943590

SCHEMBL4943590

O=C(O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.58
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55
PLK1 P53350 1/20 0.55
HCAR2 Q8TDS4 1/20 0.47
HTT P42858 1/20 0.44
CASP6 P55212 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.40
POLB P06746 2/20 0.39
PKM P14618 1/20 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
SCHEMBL4782288 0.90 AURKA (0.57) AURKAABL1BCRPLK1HTT
SCHEMBL4950822 0.85 AURKA (0.55) AURKAABL1BCRPLK1HTT
SCHEMBL4782291 0.85 AURKA (0.59) AURKAABL1BCRPLK1HTT
SCHEMBL2917872 0.75 AURKA (0.75) AURKAABL1BCRPLK1
SCHEMBL2921258 0.74 AURKA (1.00) AURKAABL1BCRPLK1
SCHEMBL2919637 0.72 AURKA (0.71) AURKAABL1BCRPLK1LMNA
SCHEMBL806924 0.72 BRD4 (0.58) AURKAABL1BCRPLK1
SCHEMBL2923322 0.71 AURKA (1.00) AURKAABL1BCRPLK1ALDH1A1
SCHEMBL2918890 0.71 CCNA2 (0.70) AURKAABL1BCRPLK1ALDH1A1
SCHEMBL2922712 0.71 CCNA2 (0.70) AURKAABL1BCRPLK1MEN1

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 4 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 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 1207/4885ABL1 244/4885BCR 409/4885

“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.