SCHEMBL13790296

SCHEMBL13790296

Cc1cccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.65
▸ KDM4E B2RXH2 5/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ MAPK14 Q16539 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MMP13 P45452 1/20 0.50
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ EGFR P00533 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL13790294 0.92 KDM4E (0.64) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790355 0.89 XDH (0.62) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790384 0.80 XDH (0.52) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790435 0.80 XDH (0.66) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790393 0.76 NPC1 (1.00) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790354 0.75 KDM4E (0.53) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL25883803 0.74 MAPK14 (0.51) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL25884002 0.74 XDH (0.51) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790453 0.74 XDH (0.73) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL3867772 0.73 XDH (0.80) XDHKDM4EHSD17B10NPC1RAB9A

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-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 — — US disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 — — 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-20090163520-A1 MNK1 or MNK2 Inhibitors NEK9, CMPK1, NEK2 XDH 2018/4885KDM4E 2821/4885HSD17B10 3021/4885

“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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