SCHEMBL4582836

SCHEMBL4582836

COc1cc(Nc2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
HSP90AA1 P07900 5/20 0.45
HSP90AB1 P08238 3/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
EML4 Q9HC35 1/20 0.43
ALK Q9UM73 1/20 0.43
SYK P43405 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL4581538 0.88 MAPK9 (0.47) MAPK9MAPK10HSP90AA1HSP90AB1KIT
SCHEMBL4579223 0.88 MAPK10 (0.47) MAPK9MAPK10HSP90AA1HSP90AB1KIT
SCHEMBL4581684 0.85 HSP90AA1 (0.53) HSP90AA1
SCHEMBL4582728 0.83 MAPK9 (0.42) MAPK9MAPK10HSP90AA1HSP90AB1KIT
SCHEMBL4581632 0.82 HSP90B1 (0.44) MAPK10HSP90AA1HSP90AB1
SCHEMBL4581687 0.82 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL4581125 0.80 SRC (0.41) PTK2
SCHEMBL4579921 0.79 HSP90AA1 (0.56) HSP90AA1
SCHEMBL4782244 0.78 HSP90AA1 (0.35) MAPK9MAPK10HSP90AA1HSP90AB1KIT
SCHEMBL4581221 0.77 HSP90AA1 (0.56) HSP90AA1

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 MAPK9 3008/4885MAPK10 3262/4885HSP90AA1 3426/4885

“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.