SCHEMBL1355951

SCHEMBL1355951

O=C(CN1CCCC1)Nc1ccc(-n2ncc3cnc(Nc4ccc(NS(=O)(=O)CCC(O)CO)nc4)nc32)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.40
AURKA O14965 3/20 0.40
CCNB1 P14635 3/20 0.40
ALK Q9UM73 1/20 0.35
CDK4 P11802 2/20 0.35
CCND3 P30281 2/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
GSK3B P49841 8/20 0.34
DYRK1A Q13627 8/20 0.34
WNT1 P04628 6/20 0.34
DEGS1 O15121 1/20 0.33
PTK2 Q05397 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1356178 0.96 CDK1 (0.40) CDK1AURKACCNB1ALKCDK4
SCHEMBL1355915 0.95 CDK1 (0.36) CDK1AURKACCNB1ALKCDK4
SCHEMBL1354382 0.91 CDK1 (0.40) CDK1AURKACCNB1ALKCDK4
SCHEMBL1356862 0.89 PTK2 (0.37) CDK1AURKACCNB1ALKCDK4
SCHEMBL1355952 0.83 CDK1 (0.49) CDK1AURKACCNB1ALKCDK4
SCHEMBL1355856 0.82 CDK1 (0.40) CDK1AURKACCNB1ALKGSK3B
SCHEMBL1355882 0.81 AURKA (0.46) CDK1AURKACCNB1ALKGSK3B
SCHEMBL1356826 0.81 AURKA (0.55) CDK1AURKACCNB1GSK3BDYRK1A
SCHEMBL1355559 0.81 CDK1 (0.39) CDK1AURKACCNB1CDK4CCND3
SCHEMBL1356179 0.77 AURKA (0.51) CDK1AURKACCNB1ALKCDK4

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