SCHEMBL15077801

SCHEMBL15077801

Cc1cc(C)c2nc3c4ccc5c(=O)n6c7nc(C#N)c(C#N)nc7nc6c6ccc(c(=O)n3c2c1)c4c56

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
AHR P35869 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PIM3 Q86V86 1/20 0.30
CAMKK1 Q8N5S9 1/20 0.30
DYRK2 Q92630 1/20 0.30
CAMKK2 Q96RR4 1/20 0.30

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
SCHEMBL15077800 0.87 ALDH1A1 (0.35) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL13286478 0.83 USP8 (0.34) NPC1MAPTRAB9AMEN1MAPK1
SCHEMBL13286479 0.83 USP8 (0.34) NPC1MAPTRAB9AMEN1MAPK1
SCHEMBL13260807 0.79
SCHEMBL13286471 0.78
SCHEMBL13260831 0.75
SCHEMBL15077797 0.74 ALDH1A1 (0.35) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL15077834 0.74 ALDH1A1 (0.35) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL13260825 0.73
SCHEMBL15077804 0.73 AR (0.32) ALDH1A1HPGDNPC1MAPTRAB9A

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-20130161591-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2013-06-27 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-20130161591-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT L1CAM, ETV6, ELAVL1 ALDH1A1 1265/4885HPGD 3661/4885NPC1 2865/4885

“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.