SCHEMBL1353936

SCHEMBL1353936

Nc1ccc(Nc2ncc3cnn(-c4ccc(O)cc4)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.49
EIF2AK4 Q9P2K8 1/20 0.47
SYK P43405 2/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
FLT3 P36888 3/20 0.43
EGFR P00533 1/20 0.43
RPS6KA3 P51812 1/20 0.41
ABL1 P00519 2/20 0.40
PDGFRB P09619 2/20 0.40
SRC P12931 2/20 0.40
PDGFRA P16234 2/20 0.40
MAPK14 Q16539 2/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40
PLK1 P53350 1/20 0.39

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
SCHEMBL27766953 0.86 EIF2AK4 (0.44) AURKAEIF2AK4SYKCDK4CCND1
SCHEMBL1356726 0.86 RPS6KA3 (0.45) EIF2AK4SYKFLT3EGFRRPS6KA3
SCHEMBL27766949 0.85 MEN1 (0.51) EIF2AK4SYKFLT3EGFRABL1
SCHEMBL1356007 0.84 EIF2AK4 (0.67) AURKAEIF2AK4SYKCDK4CCND1
SCHEMBL1356186 0.84 EIF2AK4 (0.67) AURKAEIF2AK4SYKCDK4CCND1
SCHEMBL1355600 0.82 SYK (0.54) AURKASYKCDK4CCND1CCND2
SCHEMBL1355454 0.81 EIF2AK4 (0.43) AURKAEIF2AK4SYKCDK4CCND1
SCHEMBL3862278 0.80 AURKA (0.48) AURKAEIF2AK4CDK4CCND1CCND2
SCHEMBL1355944 0.78 EIF2AK4 (0.52) AURKAEIF2AK4CDK4CCND1CCND2
SCHEMBL1355529 0.77 EIF2AK4 (0.53) AURKAEIF2AK4SYKCDK4FLT3

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
CN-101616920-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN 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
CN-101616920-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN 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 AURKA 9/4885EIF2AK4 791/4885SYK 1152/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKA 9/4885EIF2AK4 791/4885SYK 1152/4885

“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.