SCHEMBL4140608

SCHEMBL4140608

Cc1cc(-c2nc3cc4c(cc3[nH]2)N(CC(=O)N2CCOCC2)C(=O)C4(C)C)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.61
AURKB Q96GD4 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 5/20 0.40
FGFR1 P11362 4/20 0.40
FGFR2 P21802 4/20 0.40
FGFR3 P22607 4/20 0.40
ITK Q08881 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL5954883 0.83 FGFR1 (0.50) AURKAAURKBSMN1; SMN2NPC1RAB9A
SCHEMBL4130252 0.81 AURKA (0.69) AURKAAURKBSMN1; SMN2NPC1RAB9A
SCHEMBL4945475 0.81 AURKA (0.92) AURKAAURKBNPC1RAB9AKDR
SCHEMBL4133178 0.80 AURKA (0.73) AURKAAURKBKDRFGFR1FGFR2
SCHEMBL4138252 0.78 AURKA (0.73) AURKAAURKBKDRFGFR1FGFR2
SCHEMBL4143663 0.77 AURKA (0.71) AURKAAURKBSMN1; SMN2POLBALDH1A1
SCHEMBL4138011 0.77 AURKA (0.61) AURKAAURKBALDH1A1TP53MAPT
SCHEMBL4130802 0.77 AURKA (0.61) AURKAAURKBSMN1; SMN2TP53MAPT
SCHEMBL4143677 0.77 AURKA (0.73) AURKAAURKBSMN1; SMN2NPC1RAB9A
SCHEMBL4143313 0.76 AURKA (0.59) AURKAAURKBPOLBALDH1A1KDM4E

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
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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 US disclosed
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
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 (3 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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 AURKA 1558/4885AURKB 2087/4885SMN1; SMN2 4281/4885
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents AAAS, CYP3A5, BRCA1 AURKA 2294/4885AURKB 2649/4885SMN1; SMN2 3224/4885
US-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 AURKA 2529/4885AURKB 2155/4885SMN1; SMN2 1869/4885

“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.