SCHEMBL13745729

SCHEMBL13745729

c1ccc(SOOn2cc(-c3ccccc3-c3ccccc3)c3cc(-c4ccccc4)cnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.36
▸ AXL P30530 4/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ KDR P35968 2/20 0.33
▸ GAK O14976 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SGK1 O00141 4/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ CAMKK2 Q96RR4 2/20 0.31
▸ BMP4 P12644 1/20 0.31

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
SCHEMBL13745690 0.90 GSK3B (0.34) GSK3BAXLCDK8TNIKKDM4E
SCHEMBL13745686 0.88 KDR (0.35) GSK3BAXLCDK8TNIKKDR
SCHEMBL13745726 0.87 BRD4 (0.37) GSK3BKDRCAMKK2
SCHEMBL13746273 0.87 GSK3B (0.35) GSK3BAXLCDK8TNIKKDR
SCHEMBL13745703 0.87 KDR (0.38) GSK3BAXLCDK8TNIKKDR
SCHEMBL13745732 0.86 KDR (0.49) KDRPTPN11
SCHEMBL13746292 0.85 GSK3B (0.34) GSK3BAXLCDK8TNIKPTPN11
SCHEMBL13746071 0.85 PTGER1 (0.35) GSK3B
SCHEMBL13746207 0.84 ALOX5 (0.37) GSK3BALDH1A1
SCHEMBL13745780 0.83 CAMKK2 (0.41) KDRGAKCAMKK2

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 GSK3B 227/4885AXL 3999/4885CDK8 360/4885

“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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