SCHEMBL1355529

SCHEMBL1355529

COc1cccc(-n2ncc3cnc(Nc4ccc(N)cc4)nc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.53
FLT3 P36888 4/20 0.52
EGFR P00533 3/20 0.52
AURKA O14965 2/20 0.51
CDK4 P11802 1/20 0.51
GSK3B P49841 1/20 0.48
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 4/20 0.46
CYP1A2 P05177 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46

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
SCHEMBL1356186 0.88 EIF2AK4 (0.67) EIF2AK4FLT3EGFRAURKACDK4
SCHEMBL1356097 0.86 MAPT (0.52) EIF2AK4FLT3AURKACDK4MEN1
SCHEMBL1356016 0.85 GSK3B (0.58) EIF2AK4AURKACDK4GSK3BMEN1
SCHEMBL1353652 0.85 CDK4 (0.54) EIF2AK4FLT3EGFRAURKACDK4
SCHEMBL1356046 0.85 FLT3 (0.54) EIF2AK4FLT3EGFRAURKACDK4
SCHEMBL1356726 0.84 RPS6KA3 (0.45) EIF2AK4FLT3EGFRGSK3BSYK
SCHEMBL1355283 0.84 EIF2AK4 (0.52) EIF2AK4EGFRAURKACDK4MEN1
SCHEMBL1355852 0.84 FGFR4 (0.63) EIF2AK4EGFRAURKACDK4NPC1
SCHEMBL1355910 0.84 FGFR4 (0.50) EIF2AK4FLT3EGFRAURKACDK4
SCHEMBL1355798 0.84 CDK4 (0.73) EGFRAURKACDK4PTK2BRD4

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 2 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

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 791/4885FLT3 766/4885EGFR 1291/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885FLT3 766/4885EGFR 1291/4885

“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.