SCHEMBL1356016

SCHEMBL1356016

COc1cccc(-n2ncc3cnc(Nc4ccc(C(=O)O)cc4)nc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.58
GSK3A P49840 5/20 0.58
AURKA O14965 3/20 0.53
CHEK1 O14757 1/20 0.51
NTRK2 Q16620 1/20 0.51
PTK2 Q05397 3/20 0.49
EIF2AK4 Q9P2K8 1/20 0.49
CDK4 P11802 1/20 0.48
JAK2 O60674 2/20 0.48
USP2 O75604 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FGFR4 P22455 1/20 0.47

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
SCHEMBL1353786 0.89 EIF2AK4 (0.62) GSK3BGSK3AAURKACHEK1NTRK2
SCHEMBL1355529 0.85 EIF2AK4 (0.53) GSK3BAURKAPTK2EIF2AK4CDK4
SCHEMBL13764025 0.84 GSK3B (0.76) GSK3BGSK3AAURKACHEK1NTRK2
SCHEMBL1356046 0.84 FLT3 (0.54) GSK3BAURKAEIF2AK4CDK4USP2
SCHEMBL1356097 0.82 MAPT (0.52) AURKANTRK2PTK2EIF2AK4CDK4
SCHEMBL1355283 0.82 EIF2AK4 (0.52) AURKAPTK2EIF2AK4CDK4USP2
SCHEMBL1355910 0.82 FGFR4 (0.50) GSK3BAURKAEIF2AK4CDK4USP2
SCHEMBL1353652 0.82 CDK4 (0.54) AURKANTRK2PTK2EIF2AK4CDK4
SCHEMBL1355878 0.82 EIF2AK4 (0.49) AURKAPTK2EIF2AK4CDK4USP2
SCHEMBL1355852 0.80 FGFR4 (0.63) AURKAEIF2AK4CDK4JAK2FGFR4

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 GSK3B 261/4885GSK3A 277/4885AURKA 9/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 GSK3B 261/4885GSK3A 277/4885AURKA 9/4885

“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.