SCHEMBL1353652

SCHEMBL1353652

COc1cccc(-n2ncc3cnc(Nc4ccc(O)c(OC)c4)nc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.54
CCND1 P24385 2/20 0.54
CCND2 P30279 2/20 0.54
CCND3 P30281 2/20 0.54
EIF2AK4 Q9P2K8 1/20 0.49
TBK1 Q9UHD2 2/20 0.48
AURKA O14965 3/20 0.46
CLK4 Q9HAZ1 4/20 0.45
USP2 O75604 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
PTK2 Q05397 6/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL1355878 0.92 EIF2AK4 (0.49) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1356097 0.91 MAPT (0.52) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1356682 0.90 EIF2AK4 (0.61) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1355283 0.87 EIF2AK4 (0.52) CDK4EIF2AK4AURKACLK4USP2
SCHEMBL1355529 0.85 EIF2AK4 (0.53) CDK4EIF2AK4TBK1AURKACLK4
SCHEMBL1355227 0.84 CDK4 (0.47) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1356016 0.82 GSK3B (0.58) CDK4EIF2AK4AURKACLK4USP2
SCHEMBL1355858 0.82 EIF2AK4 (0.61) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL1353632 0.81 EIF2AK4 (0.50) EIF2AK4TBK1ALDH1A1PTK2KDM4E
SCHEMBL1353635 0.81 EIF2AK4 (0.66) EIF2AK4TBK1CLK4USP2CYP1A2

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 CDK4 101/4885CCND1 160/4885CCND2 219/4885
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.