SCHEMBL13745903

SCHEMBL13745903

CN(C)c1ccc(-c2cnc3c(c2)c(-c2c[nH]cn2)cn3OOSc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ KIT P10721 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ PDGFRA P16234 1/20 0.30

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
SCHEMBL13746285 0.82 KIT (0.34) MAPK8MAPK9MAPK10GSK3BKIT
SCHEMBL13745761 0.81 MAPK8 (0.37) MAPK8MAPK9MAPK10MAP4K1GSK3B
SCHEMBL13609303 0.79 ALDH1A1 (0.38) MAPK8MAPK9MAPK10MAP4K1GSK3B
SCHEMBL14031073 0.79 MAPK8 (0.43) MAPK8MAPK9MAPK10MAP4K1GSK3B
SCHEMBL13609212 0.78 AAK1 (0.38) MAPK8MAPK9MAPK10GSK3BPDGFRB
SCHEMBL13609209 0.77 MAPK8 (0.32) MAPK8MAPK9MAPK10GSK3BPDGFRB
SCHEMBL1487585 0.76 PTPN11 (0.42) MAPK8MAPK9MAPK10
SCHEMBL13745791 0.75 MAPK8 (0.31) MAPK8MAPK9MAPK10PDGFRBPDGFRA
SCHEMBL13609214 0.75 GRM5 (0.32) MAPK8MAPK9MAPK10GSK3B
SCHEMBL13745729 0.75 GSK3B (0.36) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 — — US 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 MAPK8 50/4885MAPK9 43/4885MAPK10 31/4885

“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.

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