SCHEMBL1353760

SCHEMBL1353760

COc1ccc(-n2ncc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.65
KDR P35968 2/20 0.65
FGFR4 P22455 5/20 0.64
TBK1 Q9UHD2 1/20 0.63
CDK4 P11802 5/20 0.61
AURKA O14965 3/20 0.61
EIF2AK4 Q9P2K8 1/20 0.61
BRD4 O60885 3/20 0.57
STK33 Q9BYT3 1/20 0.57
CCND3 P30281 3/20 0.56
CCNA2 P20248 2/20 0.56
CDK2 P24941 2/20 0.56
CCNK O75909 1/20 0.56
CDK9 P50750 1/20 0.56
CDK6 Q00534 1/20 0.56
CCND1 P24385 2/20 0.53
CCND2 P30279 2/20 0.53
CDK1 P06493 2/20 0.53
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53

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
SCHEMBL1355752 0.91 EIF2AK4 (0.62) EGFRKDRFGFR4TBK1CDK4
SCHEMBL1355798 0.90 CDK4 (0.73) EGFRKDRFGFR4TBK1CDK4
SCHEMBL1355170 0.90 EIF2AK4 (0.61) EGFRKDRFGFR4TBK1CDK4
SCHEMBL1355147 0.89 TBK1 (0.61) EGFRKDRFGFR4TBK1CDK4
SCHEMBL1353701 0.89 EIF2AK4 (0.60) EGFRKDRFGFR4TBK1CDK4
SCHEMBL344015 0.88 CDK4 (0.66) EGFRKDRFGFR4CDK4AURKA
SCHEMBL1355810 0.88 CDK4 (0.60) EGFRKDRFGFR4TBK1CDK4
SCHEMBL1355679 0.87 FGFR4 (0.56) EGFRKDRFGFR4TBK1CDK4
SCHEMBL3585855 0.84 CDK4 (0.59) EGFRKDRFGFR4CDK4AURKA
SCHEMBL1356007 0.84 EIF2AK4 (0.67) EGFRKDRTBK1CDK4AURKA

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
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

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 EGFR 1291/4885KDR 2714/4885FGFR4 1543/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EGFR 1291/4885KDR 2714/4885FGFR4 1543/4885

“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.