SCHEMBL1355868

SCHEMBL1355868

COc1cccc(-n2ncc3cnc(Nc4ccc(-c5nnn[nH]5)cc4)nc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.46
AURKA O14965 1/20 0.45
CDK4 P11802 1/20 0.45
TBK1 Q9UHD2 1/20 0.41
USP2 O75604 8/20 0.41
CYP1A2 P05177 8/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
CLK4 Q9HAZ1 5/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C9 P11712 3/20 0.40
TSHR P16473 3/20 0.40
PTK2 Q05397 1/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40

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
SCHEMBL1356760 0.90 EIF2AK4 (0.57) EIF2AK4AURKACDK4TBK1USP2
SCHEMBL1355529 0.81 EIF2AK4 (0.53) EIF2AK4AURKACDK4TBK1USP2
SCHEMBL1356097 0.79 MAPT (0.52) EIF2AK4AURKACDK4TBK1USP2
SCHEMBL3583207 0.79 ROCK1 (0.38) EIF2AK4AURKACDK4PTK2FGFR4
SCHEMBL1356016 0.78 GSK3B (0.58) EIF2AK4AURKACDK4USP2CYP1A2
SCHEMBL1356046 0.78 FLT3 (0.54) EIF2AK4AURKACDK4USP2CYP1A2
SCHEMBL1356819 0.78 CDK4 (0.59) EIF2AK4AURKACDK4EGFRFGFR4
SCHEMBL1355283 0.77 EIF2AK4 (0.52) EIF2AK4AURKACDK4USP2CYP1A2
SCHEMBL1355852 0.77 FGFR4 (0.63) EIF2AK4AURKACDK4EGFRFGFR4
SCHEMBL1353817 0.77 CDK4 (0.36) AURKACDK4USP2CYP1A2MEN1

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 EIF2AK4 791/4885AURKA 9/4885CDK4 101/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885AURKA 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.