SCHEMBL4328546

SCHEMBL4328546

CCn1cc(-c2ccnc3[nH]c(CCC(=O)N4CCN(C)CC4I)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.66
AURKB Q96GD4 19/20 0.66
LYN P07948 1/20 0.55
IGF1R P08069 1/20 0.55
MET P08581 1/20 0.55
ROCK1 Q13464 1/20 0.55
INCENP Q9NQS7 1/20 0.55
BRAF P15056 1/20 0.54

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
SCHEMBL4318549 0.88 AURKA (0.74) AURKAAURKBLYNIGF1RMET
SCHEMBL4320221 0.84 AURKA (0.79) AURKAAURKBLYNIGF1RMET
SCHEMBL4309256 0.81 AURKA (0.74) AURKAAURKBLYNIGF1RMET
SCHEMBL14492827 0.80 AURKA (0.81) AURKAAURKBLYNIGF1RMET
SCHEMBL4311938 0.80 AURKA (1.00) AURKAAURKBLYNIGF1RMET
SCHEMBL4319404 0.79 AURKA (1.00) AURKAAURKBLYNIGF1RMET
SCHEMBL4953871 0.79 AURKA (0.80) AURKAAURKBLYNIGF1RMET
SCHEMBL4307090 0.77 AURKA (1.00) AURKAAURKBLYNIGF1RMET
SCHEMBL4310617 0.76 AURKA (1.00) AURKAAURKBLYNIGF1RMET
SCHEMBL4312350 0.75 AURKA (1.00) AURKAAURKBLYNIGF1RMET

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-7605266-B2 Azaindole inhibitors of Aurora kinases SMITHKLINE BEECHAM (US) 2009-10-20 US disclosed
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides GLAXOSMITHKLINE LLC 2008-12-11 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-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885LYN 449/4885

“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.