SCHEMBL4142270

SCHEMBL4142270

Cc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CCCN2CCOCC2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.51
AURKB Q96GD4 3/20 0.51
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TERT O14746 1/20 0.36
ITK Q08881 1/20 0.35
DHODH Q02127 1/20 0.35
KDR P35968 4/20 0.34
CHEK1 O14757 1/20 0.34
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
HTR2A P28223 1/20 0.34
FGFR1 P11362 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL4142670 0.90 AURKA (0.48) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL4133147 0.89 AURKA (0.45) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL5619521 0.84 AURKA (0.61) AURKAAURKBKDRCHEK1SRC
SCHEMBL2490052 0.81 ACHE (0.50) AURKAAURKBACHETERTDHODH
SCHEMBL4946094 0.79 ITK (0.44) AURKAAURKBITKKDRCHEK1
SCHEMBL5189620 0.79 FGFR1 (0.51) AURKAAURKBTRPV4ITKKDR
SCHEMBL4947576 0.79 ITK (0.44) AURKAAURKBITKKDRCHEK1
SCHEMBL5618911 0.75 AURKA (0.50) AURKAAURKBNPC1RAB9AKDR
SCHEMBL4952439 0.72 AURKA (0.50) AURKAAURKBKDRCHEK1SRC
SCHEMBL5619560 0.72 AURKA (0.55) AURKAAURKBKDRCHEK1SRC

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 2649/4885NPC1 1060/4885

“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.