SCHEMBL3580945

SCHEMBL3580945

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.46
CDK1 P06493 8/20 0.46
CCNB1 P14635 8/20 0.46
FLT3 P36888 2/20 0.40
JAK2 O60674 5/20 0.38
JAK3 P52333 3/20 0.38
DCLK1 O15075 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
PTK2 Q05397 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
BRD4 O60885 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
SCHEMBL3588130 0.91 AURKA (0.39) AURKACDK1CCNB1FLT3JAK2
SCHEMBL3575913 0.87 NPC1 (0.41) AURKACDK1CCNB1FLT3JAK2
SCHEMBL3587865 0.86 AURKA (0.46) AURKACDK1CCNB1FLT3JAK2
SCHEMBL3586266 0.76 AURKA (0.42) AURKACDK1CCNB1FLT3CDK2
SCHEMBL1356282 0.76 FLT3 (0.52) AURKACDK1CCNB1FLT3DCLK1
SCHEMBL3587869 0.75 CDK1 (0.47) AURKACDK1CCNB1JAK2CDK2
SCHEMBL1353795 0.74 DCLK1 (0.52) AURKACDK1CCNB1FLT3DCLK1
SCHEMBL3587627 0.73 CDK4 (0.35) AURKACDK1JAK2
SCHEMBL1355988 0.72 FLT3 (0.64) AURKACDK1CCNB1FLT3JAK2
SCHEMBL3591405 0.71 SYK (0.38) AURKACDK1CCNB1FLT3JAK3

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.