SCHEMBL4579223

SCHEMBL4579223

COc1cc(Nc2ccc(C(N)=O)c(NC3CCOCC3)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.47
MAPK9 P45984 3/20 0.47
FLT3 P36888 7/20 0.44
HSP90AA1 P07900 5/20 0.44
HSP90AB1 P08238 5/20 0.44
RET P07949 4/20 0.43
ALK Q9UM73 4/20 0.43
ROS1 P08922 3/20 0.43
EML4 Q9HC35 2/20 0.43
TBK1 Q9UHD2 1/20 0.42
SYK P43405 2/20 0.42
KIT P10721 3/20 0.41
PLK4 O00444 3/20 0.41
FYN P06241 2/20 0.41
MAP4K4 O95819 2/20 0.41
CDK2 P24941 2/20 0.41
AXL P30530 2/20 0.41
MAPK8 P45983 2/20 0.41
RPS6KA3 P51812 2/20 0.41
NEK2 P51955 2/20 0.41

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
SCHEMBL4582836 0.88 MAPK9 (0.48) MAPK10MAPK9FLT3HSP90AA1HSP90AB1
SCHEMBL4581538 0.88 MAPK9 (0.47) MAPK10MAPK9FLT3HSP90AA1HSP90AB1
SCHEMBL4582130 0.82 TUBB4A (0.42) MAPK10FLT3HSP90AA1HSP90AB1RET
SCHEMBL4582728 0.82 MAPK9 (0.42) MAPK10MAPK9FLT3HSP90AA1HSP90AB1
SCHEMBL6153322 0.81 FLT3 (0.47) MAPK10MAPK9FLT3RETALK
SCHEMBL4580964 0.79 TBK1 (0.51) TBK1FYNJAK2SRCTYK2
SCHEMBL4581198 0.77 HSP90AA1 (0.41) MAPK10FLT3HSP90AA1HSP90AB1RET
SCHEMBL4582529 0.77 HSP90AA1 (0.38) MAPK10FLT3HSP90AA1HSP90AB1RET
SCHEMBL4580701 0.74 SYK (0.52) MAPK10MAPK9HSP90AA1HSP90AB1SYK
SCHEMBL4581684 0.73 HSP90AA1 (0.53) HSP90AA1CSNK2A1CSNK2A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (1 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 MAPK10 3262/4885MAPK9 3008/4885FLT3 262/4885

“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.