SCHEMBL4143663

SCHEMBL4143663

C=CCN1C(=O)C(C)(C)c2cc3nc(-c4cc(C)[nH]n4)[nH]c3cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.71
AURKB Q96GD4 3/20 0.71
CHEK1 O14757 1/20 0.38
SRC P12931 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.33
POLB P06746 1/20 0.32
PGR P06401 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL4945475 0.88 AURKA (0.92) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4138252 0.85 AURKA (0.73) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4133178 0.85 AURKA (0.73) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4143677 0.83 AURKA (0.73) AURKAAURKBCHEK1SRCCDK2
SCHEMBL5618967 0.82 AURKA (0.68) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4130136 0.82 AURKA (0.71) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4130252 0.81 AURKA (0.69) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4133143 0.81 AURKA (0.79) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4893538 0.80 AURKA (0.46) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4138005 0.80 AURKA (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US claimed
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
EP-1966213-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 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-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents AAAS, CYP3A5, BRCA1 AURKA 2294/4885AURKB 2649/4885CHEK1 559/4885

“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.