SCHEMBL1355798

SCHEMBL1355798

COc1cccc(-n2ncc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.73
AURKA O14965 3/20 0.73
BRD4 O60885 4/20 0.64
FGFR4 P22455 4/20 0.63
EGFR P00533 3/20 0.63
KDR P35968 2/20 0.57
LCK P06239 1/20 0.57
SRC P12931 1/20 0.57
JAK2 O60674 2/20 0.55
TBK1 Q9UHD2 1/20 0.55
CCND1 P24385 1/20 0.54
CCND2 P30279 1/20 0.54
CCND3 P30281 1/20 0.54
PTK2 Q05397 1/20 0.53
ALK Q9UM73 1/20 0.52

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
SCHEMBL1355852 0.90 FGFR4 (0.63) CDK4AURKABRD4FGFR4EGFR
SCHEMBL1353760 0.90 EGFR (0.65) CDK4AURKABRD4FGFR4EGFR
SCHEMBL1356819 0.90 CDK4 (0.59) CDK4AURKABRD4FGFR4EGFR
SCHEMBL1353747 0.88 AURKA (0.58) CDK4AURKABRD4FGFR4EGFR
SCHEMBL1355147 0.88 TBK1 (0.61) CDK4AURKABRD4FGFR4EGFR
SCHEMBL3585855 0.87 CDK4 (0.59) CDK4AURKAFGFR4EGFRKDR
SCHEMBL344015 0.87 CDK4 (0.66) CDK4AURKABRD4FGFR4EGFR
SCHEMBL1355810 0.86 CDK4 (0.60) CDK4AURKABRD4FGFR4EGFR
SCHEMBL1355529 0.84 EIF2AK4 (0.53) CDK4AURKABRD4EGFRSRC
SCHEMBL1356097 0.81 MAPT (0.52) CDK4AURKAKDRLCKJAK2

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 6 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
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO 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.