SCHEMBL13745703

SCHEMBL13745703

c1ccc(Oc2ccc(-c3cn(OOSc4ccccc4)c4ncc(-c5ccccc5)cc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.38
▸ PTPN11 Q06124 11/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ GSTP1 P09211 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ LCK P06239 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ TEK Q02763 2/20 0.33
▸ PTPN2 P17706 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ PPP2CA P67775 1/20 0.33
▸ PTPN12 Q05209 1/20 0.33
▸ DUSP22 Q9NRW4 1/20 0.33

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
SCHEMBL13745732 0.91 KDR (0.49) KDRPTPN11PTPN2PTPN1PTPRC
SCHEMBL13745686 0.88 KDR (0.35) KDRPTPN11GSK3BAXLCDK8
SCHEMBL13745780 0.88 CAMKK2 (0.41) KDRLCKTEK
SCHEMBL13745726 0.88 BRD4 (0.37) KDRGSK3BLCKTEK
SCHEMBL13746535 0.84 CAMKK2 (0.41) KDR
SCHEMBL13746292 0.84 GSK3B (0.34) PTPN11GSK3BAXLCDK8TNIK
SCHEMBL13745719 0.83 CAMKK2 (0.40) KDR
SCHEMBL13746062 0.82 CAMKK2 (0.38) PTPN11
SCHEMBL13746565 0.82 CAMKK2 (0.39) KDRPTPN11
SCHEMBL13745690 0.82 GSK3B (0.34) GSK3BAXLCDK8TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 — — US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 — — 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 KDR 3757/4885PTPN11 1694/4885MAP4K1 45/4885

“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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