SCHEMBL5865707

SCHEMBL5865707

Nc1cc2c(c3cccnc13)CCN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
G6PD P11413 1/20 0.42
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
IDO1 P14902 1/20 0.39
PSMB5 P28074 1/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL5865674 0.81 KDM4E (0.42) CASP6HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL5649180 0.78 BCHE (0.43) MEN1KMT2AALDH1A1MAPTACHE
SCHEMBL5865477 0.70 MAPT (0.52) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL7915022 0.67 NR4A2 (0.55) NSD2CASP6G6PDHSP90AA1HSP90AB1
SCHEMBL13154679 0.67 LMNA (0.52) HSP90AA1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9308262 0.66 HSP90AA1 (0.73) NSD2CASP6G6PDHSP90AA1HSP90AB1
SCHEMBL7455899 0.66 HSP90AA1 (0.70) NSD2CASP6G6PDHSP90AA1HSP90AB1
SCHEMBL29661959 0.66 HSP90AA1 (0.70) NSD2CASP6G6PDHSP90AA1HSP90AB1
SCHEMBL5447339 0.65 HSP90AA1 (0.59) NSD2CASP6G6PDHSP90AA1HSP90AB1
SCHEMBL8626641 0.65 HSP90AA1 (0.58) NSD2CASP6G6PDHSP90AA1HSP90AB1

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
US-7064117-B2 Anti-cancer 2,3-dihydro-1H-pyrrolo[3,2-f]quinoline complexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2006-06-20 US disclosed
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2005-02-17 US disclosed
US-20040138195-A1 Anti-cancer 2,3-dihydro-1h-pyrrolo[3,2-f[quinoline complexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2004-07-15 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 (2 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-20040138195-A1 Anti-cancer 2,3-dihydro-1h-pyrrolo[3,2-f[quinoline complexes of cobalt and chromium IDH1, HIF1AN, CA2 NSD2 2738/4885CASP6 1283/4885G6PD 56/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX NSD2 3038/4885CASP6 1183/4885G6PD 187/4885

“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.