SCHEMBL21297352

SCHEMBL21297352

c1ccc(-c2cccc3nc4c5nc6cccc(-c7cc(-c8cc9nc(c8)c8ccc%10c%11cccc(n%11)c%11cccc(n%11)c%11ccc%12c%13cccc(n%13)c%13cccc(n%13)c%13ccc(c%14cccc9n%14)c9nc%14c(nc%139)c9nc%12c%11nc9c9nc%10c8nc%149)ccn7)c6nc5c5nc6c(-c7ccccn7)ccc(-c7ccccn7)c6nc5c4nc23)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TGFBR1 P36897 4/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKDC P78527 1/20 0.32
METAP1 P53582 2/20 0.32
KDM4E B2RXH2 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RET P07949 1/20 0.31
PIM1 P11309 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
SCHEMBL13554698 0.78 KDM4E (0.48) TOP1TSHRMAPK1HSD17B10NPC1
SCHEMBL1704912 0.77 KDM4E (0.50) TOP1TSHRMAPK1HSD17B10TGFBR1
SCHEMBL3432187 0.75 KDM4E (0.48) TOP1TSHRMAPK1HSD17B10TGFBR1
SCHEMBL13554704 0.68 KDM4E (0.59) TSHRMAPK1HSD17B10NPC1LMNA
SCHEMBL25380095 0.67 KDM4E (0.45) TOP1TSHRMAPK1HSD17B10TGFBR1
SCHEMBL3210621 0.66 KDM4E (0.53) TSHRMAPK1HSD17B10TGFBR1NPC1
SCHEMBL30271293 0.65 KDM4E (0.50) TSHRMAPK1HSD17B10TGFBR1NPC1
SCHEMBL10336899 0.65 KDM4E (0.50) TSHRMAPK1HSD17B10TGFBR1NPC1
SCHEMBL13554700 0.65 MYC (0.50) TSHRHSD17B10NPC1LMNARAB9A
SCHEMBL13554699 0.64 MAPT (0.50) TSHRHSD17B10NPC1LMNARAB9A

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-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-27 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-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes TYR, MT-CO2, SOD1 TOP1 2348/4885TSHR 4546/4885MAPK1 2683/4885

“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.