SCHEMBL3588130

SCHEMBL3588130

CS(=O)(=O)CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(-c4ccc(OS(C)(=O)=O)c5c4CCCC5)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.39
CDK1 P06493 15/20 0.39
CCNB1 P14635 15/20 0.39
FLT3 P36888 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 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
SCHEMBL3580945 0.91 AURKA (0.46) AURKACDK1CCNB1FLT3JAK2
SCHEMBL3575913 0.80 NPC1 (0.41) AURKACDK1CCNB1FLT3JAK2
SCHEMBL3587865 0.77 AURKA (0.46) AURKACDK1CCNB1FLT3JAK2
SCHEMBL3587383 0.76 DCLK1 (0.39) AURKACDK1CCNB1FLT3EIF2AK4
SCHEMBL3586266 0.75 AURKA (0.42) AURKACDK1CCNB1FLT3CYP3A4
SCHEMBL1355845 0.75 EIF2AK4 (0.60) AURKAFLT3CYP3A4CYP2C9EIF2AK4
SCHEMBL1355918 0.74 EIF2AK4 (0.48) AURKACDK1CCNB1FLT3EIF2AK4
SCHEMBL3587627 0.73 CDK4 (0.35) AURKACDK1CYP3A4CYP2C9EIF2AK4
SCHEMBL3605767 0.72 WEE1 (0.44) AURKACDK1CCNB1FLT3EIF2AK4
SCHEMBL3587869 0.72 CDK1 (0.47) 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 6 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
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO 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.