SCHEMBL1355147

SCHEMBL1355147

COc1ccc(-n2ncc3cnc(Nc4cccc(N5CCN(C)CC5)c4)nc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.61
AURKA O14965 1/20 0.59
CDK4 P11802 1/20 0.59
EIF2AK4 Q9P2K8 1/20 0.56
BRD4 O60885 4/20 0.55
STK33 Q9BYT3 1/20 0.55
EGFR P00533 2/20 0.55
JAK2 O60674 6/20 0.54
PTK2 Q05397 3/20 0.54
KDR P35968 2/20 0.53
FGFR4 P22455 3/20 0.52
CCNK O75909 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCND3 P30281 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
JAK3 P52333 2/20 0.49
LCK P06239 1/20 0.49
SRC P12931 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
SCHEMBL1353760 0.89 EGFR (0.65) TBK1AURKACDK4EIF2AK4BRD4
SCHEMBL1355798 0.88 CDK4 (0.73) TBK1AURKACDK4BRD4EGFR
SCHEMBL1353635 0.85 EIF2AK4 (0.66) TBK1EIF2AK4EGFRPTK2
SCHEMBL1353618 0.82 EIF2AK4 (0.62) TBK1AURKAEIF2AK4EGFRJAK2
SCHEMBL344015 0.82 CDK4 (0.66) AURKACDK4BRD4EGFRJAK2
SCHEMBL1355752 0.80 EIF2AK4 (0.62) TBK1AURKACDK4EIF2AK4EGFR
SCHEMBL18376736 0.80 MAP4K1 (0.66) AURKACDK4BRD4EGFRJAK2
SCHEMBL1355810 0.80 CDK4 (0.60) TBK1AURKACDK4BRD4STK33
SCHEMBL1355170 0.79 EIF2AK4 (0.61) TBK1AURKACDK4EIF2AK4EGFR
SCHEMBL18376246 0.79 JAK2 (0.56) AURKACDK4BRD4EGFRJAK2

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 8 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
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 claimed
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 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 TBK1 1295/4885AURKA 9/4885CDK4 101/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 TBK1 1295/4885AURKA 9/4885CDK4 101/4885

“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.