SCHEMBL4130802

SCHEMBL4130802

Cc1cc(-c2nc3cc4c(cc3[nH]2)N(CC(=O)Nc2ccc(F)cc2)C(=O)C4(C)C)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.61
AURKB Q96GD4 2/20 0.61
TP53 P04637 2/20 0.45
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FPR2 P25090 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL4143313 0.90 AURKA (0.59) AURKAAURKBTP53MAPTLMNA
SCHEMBL4900368 0.84 TP53 (0.44) AURKAAURKBTP53MAPTLMNA
SCHEMBL4138011 0.83 AURKA (0.61) AURKAAURKBTP53MAPTLMNA
SCHEMBL4130252 0.81 AURKA (0.69) AURKAAURKBTP53MAPTLMNA
SCHEMBL4945475 0.80 AURKA (0.92) AURKAAURKB
SCHEMBL4134941 0.80 AURKA (0.58) AURKAAURKBKMT2A
SCHEMBL4133178 0.79 AURKA (0.73) AURKAAURKB
SCHEMBL4138252 0.78 AURKA (0.73) AURKAAURKB
SCHEMBL4140608 0.77 AURKA (0.61) AURKAAURKBTP53MAPTSMN1; SMN2
SCHEMBL4143663 0.77 AURKA (0.71) AURKAAURKBSMN1; SMN2

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 2649/4885TP53 1202/4885

“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.