SCHEMBL5954965

SCHEMBL5954965

CCC(=O)Nc1ccc2[nH]nc(-c3nc4cc5c(cc4[nH]3)C(C)(C)C(=O)N5CC)c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.55
AURKB Q96GD4 2/20 0.55
PDPK1 O15530 13/20 0.46
CHEK1 O14757 1/20 0.41
SRC P12931 1/20 0.41
CDK2 P24941 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
WNT1 P04628 2/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
TGFBR1 P36897 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL4897694 0.90 AURKA (0.52) AURKAAURKBPDPK1CHEK1SRC
SCHEMBL5189348 0.89 AURKA (0.51) AURKAAURKBPDPK1CHEK1SRC
SCHEMBL4893240 0.89 AURKA (0.49) AURKAAURKBPDPK1FLT3WNT1
SCHEMBL4893595 0.89 AURKA (0.51) AURKAAURKBPDPK1CHEK1SRC
SCHEMBL5188936 0.89 AURKA (0.52) AURKAAURKBPDPK1CHEK1FLT3
SCHEMBL5191547 0.89 AURKA (0.52) AURKAAURKBPDPK1CHEK1KDR
SCHEMBL4895975 0.88 AURKA (0.48) AURKAAURKBPDPK1CHEK1KDR
SCHEMBL4884402 0.88 AURKA (0.51) AURKAAURKBPDPK1CHEK1FLT3
SCHEMBL4893017 0.88 AURKA (0.47) AURKAAURKBPDPK1CDK2WNT1
SCHEMBL5241696 0.86 AURKA (0.49) AURKAAURKBPDPK1CHEK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US 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 AURKA 2529/4885AURKB 2155/4885PDPK1 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.