SCHEMBL1355810

SCHEMBL1355810

COc1ccc(-n2ncc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.60
AURKA O14965 1/20 0.60
BRD4 O60885 9/20 0.58
EGFR P00533 2/20 0.56
KDR P35968 2/20 0.56
FGFR4 P22455 4/20 0.55
TBK1 Q9UHD2 1/20 0.53
STK33 Q9BYT3 1/20 0.51
LCK P06239 1/20 0.49
SRC P12931 1/20 0.49
NUAK1 O60285 1/20 0.49
CCND1 P24385 1/20 0.49
MARK3 P27448 1/20 0.49
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
MARK4 Q96L34 1/20 0.49
NUAK2 Q9H093 1/20 0.49
MARK1 Q9P0L2 1/20 0.49

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
SCHEMBL1355729 0.89 FGFR4 (0.50) CDK4AURKABRD4EGFRKDR
SCHEMBL1353760 0.88 EGFR (0.65) CDK4AURKABRD4EGFRKDR
SCHEMBL1355941 0.87 EIF2AK4 (0.54) CDK4AURKAEGFRKDRTBK1
SCHEMBL1355798 0.86 CDK4 (0.73) CDK4AURKABRD4EGFRKDR
SCHEMBL1355905 0.82 EIF2AK4 (0.47) CDK4AURKABRD4EGFRKDR
SCHEMBL1356733 0.81 CHRNA7 (0.47) CDK4TBK1CCND1CCND2CCND3
SCHEMBL1356282 0.80 FLT3 (0.52) CDK4AURKAEGFRFGFR4TBK1
SCHEMBL1355147 0.80 TBK1 (0.61) CDK4AURKABRD4EGFRKDR
SCHEMBL3585855 0.79 CDK4 (0.59) CDK4AURKAEGFRKDRFGFR4
SCHEMBL1356000 0.79 AURKA (0.44) CDK4AURKAEGFRFGFR4TBK1

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 101/4885AURKA 9/4885BRD4 1688/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885AURKA 9/4885BRD4 1688/4885

“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.