SCHEMBL3589505

SCHEMBL3589505

CS(=O)(=O)N(CC(O)CO)c1ccc(Nc2ncc3cnn(C4CCc5c(O)cccc54)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.53
CDK1 P06493 15/20 0.53
CCNB1 P14635 15/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MARK3 P27448 3/20 0.42
MARK4 Q96L34 3/20 0.42
NUAK1 O60285 3/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
ABL1 P00519 2/20 0.42
KIT P10721 2/20 0.42
SRC P12931 2/20 0.42
MAPK14 Q16539 2/20 0.42
SGK1 O00141 1/20 0.42
PIK3CD O00329 1/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
MAPK13 O15264 1/20 0.42

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
SCHEMBL3578472 0.91 AURKA (0.54) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3585527 0.91 CDK1 (0.53) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3596118 0.90 CDK1 (0.53) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3571589 0.90 AURKA (0.67) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3579133 0.88 CDK1 (0.53) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3591802 0.88 AURKA (0.68) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1355849 0.86 AURKA (0.51) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3596172 0.84 AURKA (0.70) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1355460 0.82 MARK3 (0.52) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3583262 0.81 CDK1 (0.67) AURKACDK1CCNB1CYP3A4CYP2C9

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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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 (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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B AURKA 10/4885CDK1 1/4885CCNB1 17/4885

“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.