SCHEMBL1355558

SCHEMBL1355558

CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(-c4ccccc4-c4ccccc4)c3n2)cc1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.48
CCNB1 P14635 10/20 0.48
AURKA O14965 9/20 0.48
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 3/20 0.41
CCND3 P30281 3/20 0.41
RIPK2 O43353 3/20 0.40
ACVR1 Q04771 3/20 0.40
NOD2 Q9HC29 3/20 0.40
DCLK1 O15075 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
CCNA2 P20248 1/20 0.39
FGFR2 P21802 1/20 0.39

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
SCHEMBL1353795 0.87 DCLK1 (0.52) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3573049 0.85 CDK1 (0.46) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3581811 0.82 CDK1 (0.44) CDK1CCNB1AURKACDK4CCND1
SCHEMBL1353745 0.81 AURKA (0.53) AURKA
SCHEMBL1356005 0.80 CDK1 (0.43) CDK1CCNB1AURKACYP3A4CYP2C9
SCHEMBL3862278 0.78 AURKA (0.48) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3591861 0.78 AURKA (0.54) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3587869 0.78 CDK1 (0.47) CDK1CCNB1AURKACDK4CCND1
SCHEMBL3586266 0.77 AURKA (0.42) CDK1CCNB1AURKACDK4CCND1
SCHEMBL1356000 0.77 AURKA (0.44) CDK1CCNB1AURKACDK4CCND1

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 CDK1 3/4885CCNB1 12/4885AURKA 9/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK1 3/4885CCNB1 12/4885AURKA 9/4885

“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.