SCHEMBL3587167

SCHEMBL3587167

CS(=O)(=O)N(c1ccc(Nc2ncc3cnn([C@H]4Cc5cccc6cccc4c56)c3n2)cc1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.51
CDK1 P06493 15/20 0.51
CCNB1 P14635 15/20 0.51
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDK4 P11802 1/20 0.37
JAK2 O60674 2/20 0.35
BRD4 O60885 2/20 0.35
FGFR4 P22455 1/20 0.35
WEE1 P30291 1/20 0.35
JAK1 P23458 1/20 0.35
BRD2 P25440 1/20 0.35
JAK3 P52333 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35

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
SCHEMBL3582577 1.00 AURKA (0.51) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3588626 0.84 AURKA (0.54) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3585045 0.84 AURKA (0.54) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3585042 0.84 AURKA (0.54) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3580556 0.83 ABL1 (0.39) AURKACDK1CCNB1CDK4JAK3
SCHEMBL3590707 0.83 ABL1 (0.39) AURKACDK1CCNB1CDK4JAK3
SCHEMBL3592265 0.83 ABL1 (0.39) AURKACDK1CCNB1CDK4JAK3
SCHEMBL3589173 0.82 GSK3B (0.43) AURKAJAK2
SCHEMBL3588605 0.82 GSK3B (0.43) AURKAJAK2
SCHEMBL3588602 0.82 GSK3B (0.43) AURKAJAK2

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 1 patent. 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

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.