SCHEMBL1356097

SCHEMBL1356097

COc1cccc(-n2ncc3cnc(Nc4ccc(OC)c(OC)c4)nc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HTT P42858 1/20 0.52
EIF2AK4 Q9P2K8 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 3/20 0.51
CDK4 P11802 2/20 0.51
HPGD P15428 2/20 0.51
CCND1 P24385 1/20 0.51
CCND2 P30279 1/20 0.51
CCND3 P30281 1/20 0.51
TBK1 Q9UHD2 2/20 0.50
AURKA O14965 2/20 0.48
CLK4 Q9HAZ1 4/20 0.47
USP2 O75604 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 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
SCHEMBL1353652 0.91 CDK4 (0.54) MAPTKDM4EHTTEIF2AK4ALDH1A1
SCHEMBL1355878 0.91 EIF2AK4 (0.49) MAPTKDM4EHTTEIF2AK4ALDH1A1
SCHEMBL1355771 0.89 EIF2AK4 (0.64) MAPTKDM4EHTTEIF2AK4ALDH1A1
SCHEMBL1355529 0.86 EIF2AK4 (0.53) MAPTKDM4EEIF2AK4ALDH1A1MEN1
SCHEMBL1355283 0.85 EIF2AK4 (0.52) MAPTKDM4EEIF2AK4ALDH1A1MEN1
SCHEMBL1353796 0.84 EIF2AK4 (0.53) MAPTKDM4EHTTEIF2AK4ALDH1A1
SCHEMBL1353632 0.84 EIF2AK4 (0.50) MAPTKDM4EHTTEIF2AK4ALDH1A1
SCHEMBL1353635 0.84 EIF2AK4 (0.66) MAPTKDM4EEIF2AK4ALDH1A1MEN1
SCHEMBL1355678 0.83 TUBB4A (0.48) MAPTHTTEIF2AK4ALDH1A1MEN1
SCHEMBL1356046 0.82 FLT3 (0.54) EIF2AK4ALDH1A1MEN1KMT2ACDK4

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 MAPT 733/4885KDM4E 1954/4885HTT 4382/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MAPT 733/4885KDM4E 1954/4885HTT 4382/4885

“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.