SCHEMBL4582739

SCHEMBL4582739

COCC(C)Nc1cc(Nc2cc(OC)c(OC)c(OC)c2)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.51
MAPK10 P53779 2/20 0.51
SYK P43405 4/20 0.43
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
PTK2 Q05397 2/20 0.40
MAPK1 P28482 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
DCLK1 O15075 1/20 0.40
CHUK O15111 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 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
SCHEMBL4581874 0.78 SRC (0.42) PTK2SRCPLK1DYRK1AALDH1A1
SCHEMBL4726973 0.76 MAPK10 (0.44) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL4580701 0.75 SYK (0.52) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL4582728 0.74 MAPK9 (0.42) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL4582836 0.73 MAPK9 (0.48) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL4580323 0.73 MAPK9 (0.45) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL4580452 0.73 MAPK9 (0.45) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL13450261 0.73 MAPK9 (0.57) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL4581538 0.72 MAPK9 (0.47) MAPK9MAPK10SYKHSP90AA1HSP90AB1
SCHEMBL4579223 0.72 MAPK10 (0.47) MAPK9MAPK10SYKHSP90AA1HSP90AB1

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 3262/4885SYK 462/4885

“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.