SCHEMBL26077874

SCHEMBL26077874

O=[S+]c1ncc2c(n1)N1CCN=C1C(Oc1ccc(F)cc1F)=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.33
▸ MAPK14 Q16539 5/20 0.33
▸ HSPB1 P04792 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ GPR6 P46095 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAP4K4 O95819 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ GAK O14976 1/20 0.32
▸ RPS6KA4 O75676 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ DDR1 Q08345 1/20 0.32

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
SCHEMBL29536472 0.84 BRD4 (0.46) MAPK8MAPK14PTGS2BRD4MAPK9
SCHEMBL25421846 0.84 BRD4 (0.46) MAPK8MAPK14PTGS2BRD4MAPK9
SCHEMBL29537104 0.84 MET (0.35) MAPK8MAPK14PTGS2GPR6BRD4
SCHEMBL25420591 0.84 MET (0.35) MAPK8MAPK14PTGS2GPR6BRD4
SCHEMBL29536937 0.82 L3MBTL1 (0.33) MAPK14PTGS2KDM4EALDH1A1NPSR1
SCHEMBL30595902 0.80 MAPK8 (0.41) MAPK8MAPK14
SCHEMBL26075404 0.80 MAPK8 (0.41) MAPK8MAPK14
SCHEMBL29537219 0.80 MAPK14 (0.32) MAPK8MAPK14BRD4KDM4EALDH1A1
SCHEMBL30595879 0.78 SYK (0.44) MAPK8
SCHEMBL26075403 0.78 SYK (0.44) MAPK8

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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 — — 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 MAPK8 124/4885MAPK14 174/4885HSPB1 1534/4885

“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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