SCHEMBL12957097

SCHEMBL12957097

Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cnc1-c1ncc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.50
▸ PDGFRB P09619 3/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ CDK8 P49336 3/20 0.41
▸ KDR P35968 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ DAPK3 O43293 1/20 0.41

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
SCHEMBL12957245 0.94 PSMB5 (0.49) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A
SCHEMBL10205844 0.90 PSMB5 (0.51) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A
SCHEMBL18606213 0.88 PSMB5 (0.50) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A
SCHEMBL24066439 0.79 NPC1 (0.46) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A
SCHEMBL18136475 0.79 PSMB5 (0.53) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A
SCHEMBL14478722 0.78 MAP4K4 (0.50) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A
SCHEMBL17805945 0.77 RAB9A (0.54) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A
SCHEMBL15785404 0.76 MAP4K4 (0.71) PSMB5SMN1; SMN2RAB9ANPC1MAP4K4
SCHEMBL29361094 0.76 MAP4K4 (0.71) PSMB5SMN1; SMN2RAB9ANPC1MAP4K4
SCHEMBL13141949 0.76 PSMB5 (0.50) PSMB5PDGFRBPDGFRASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275409-A1 Bipiridine derivative and organic electroluminescence element containing the same Yamagata Promotional Organization for Industrial Technology (JP) 2011-01-19 — — EP disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 — — US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 — — 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-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 PSMB5 2825/4885PDGFRB 2247/4885PDGFRA 1734/4885

“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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