SCHEMBL1355882

SCHEMBL1355882

CS(=O)(=O)CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(-c4ccc(NC(=O)CN5CCCC5)cc4)c3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.46
CDK1 P06493 4/20 0.46
CCNB1 P14635 4/20 0.46
EIF2AK4 Q9P2K8 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
PTK2 Q05397 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
USP2 O75604 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
ALK Q9UM73 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL1356826 0.92 AURKA (0.55) AURKACDK1CCNB1EIF2AK4TSHR
SCHEMBL1356178 0.86 CDK1 (0.40) AURKACDK1CCNB1EIF2AK4TSHR
SCHEMBL1355951 0.81 CDK1 (0.40) AURKACDK1CCNB1EIF2AK4PTK2
SCHEMBL1356862 0.79 PTK2 (0.37) AURKACDK1CCNB1TSHRKDM4E
SCHEMBL1354382 0.78 CDK1 (0.40) AURKACDK1CCNB1TSHRKDM4E
SCHEMBL1356179 0.78 AURKA (0.51) AURKACDK1CCNB1PTK2MEN1
SCHEMBL1356865 0.77 AURKA (0.43) AURKACDK1CCNB1PTK2MEN1
SCHEMBL1355952 0.76 CDK1 (0.49) AURKACDK1CCNB1ALK
SCHEMBL1355915 0.76 CDK1 (0.36) AURKACDK1CCNB1POLBALK
SCHEMBL1355856 0.74 CDK1 (0.40) AURKACDK1CCNB1ALKWNT1

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.