SCHEMBL1355562

SCHEMBL1355562

CC(C)(C)OC(=O)Nc1ccc(-n2ncc3cnc(Nc4ccc(N(CC(O)CO)S(C)(=O)=O)nc4)nc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.47
CDK1 P06493 14/20 0.47
CCNB1 P14635 14/20 0.47
EIF2AK4 Q9P2K8 1/20 0.36
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
MAPK14 Q16539 1/20 0.34
SCN9A Q15858 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SYK P43405 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL1356026 0.92 AURKA (0.46) AURKACDK1CCNB1ABL1PDGFRB
SCHEMBL1356807 0.92 AURKA (0.39) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1356179 0.84 AURKA (0.51) AURKACDK1CCNB1CDK4CCND1
SCHEMBL1355963 0.84 AURKA (0.39) AURKACDK1CCNB1CDK4CCND1
SCHEMBL1355406 0.83 AURKA (0.62) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1356803 0.81 EIF2AK4 (0.38) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1355559 0.81 CDK1 (0.39) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1355952 0.80 CDK1 (0.49) AURKACDK1CCNB1CDK4CCND1
SCHEMBL1354384 0.77 AURKA (0.50) AURKACDK1CCNB1CDK4CCND3
SCHEMBL1356281 0.76 AURKA (0.60) AURKACDK1CCNB1CDK4CCND1

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-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 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 (2 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKA 9/4885CDK1 3/4885CCNB1 12/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKA 9/4885CDK1 3/4885CCNB1 12/4885

“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.