SCHEMBL1356054

SCHEMBL1356054

COc1ccc(Cn2ncc3cnc(Nc4ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc4)nc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCND2 P30279 1/20 0.47
CCND3 P30281 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AURKA O14965 8/20 0.46
CDK1 P06493 8/20 0.46
CCNB1 P14635 8/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FGFR4 P22455 3/20 0.44
FLT3 P36888 1/20 0.44
EIF2AK4 Q9P2K8 1/20 0.43
EGFR P00533 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL3586575 0.84 CDK1 (0.52) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1353780 0.83 EIF2AK4 (0.60) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL3584885 0.82 CDK1 (0.50) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3591794 0.80 CDK1 (0.48) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3575825 0.79 AURKA (0.53) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3582161 0.78 AURKA (0.55) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3591861 0.78 AURKA (0.54) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1356000 0.77 AURKA (0.44) CDK4CCND1CCND2CCND3LMNA
SCHEMBL1355913 0.77 STAT6 (0.51) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL1355910 0.77 FGFR4 (0.50) CDK4ALDH1A1AURKACDK1CCNB1

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 9 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 disclosed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
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
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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 (3 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 CDK4 101/4885CCND1 160/4885CCND2 219/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885CCND1 210/4885CCND2 329/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CCND2 219/4885

“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.