SCHEMBL15077802

SCHEMBL15077802

Cc1ccc2nc3c4ccc5c(=O)n6c7cc(C(F)(F)F)ccc7nc6c6c(C#N)cc(c(=O)n3c2c1)c4c56

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
PDE2A O00408 11/20 0.35
PDE10A Q9Y233 8/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
CAMKK1 Q8N5S9 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
PDE7A Q13946 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PIM3 Q86V86 1/20 0.33
DYRK2 Q92630 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
BCL2 P10415 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13260804 0.94 AHR (0.44) AHRPDE2APDE10AMEN1KMT2A
SCHEMBL15077799 0.91 AHR (0.37) AHRPDE2APDE10AMEN1KMT2A
SCHEMBL13260824 0.90 AHR (0.41) AHRPDE2APDE10AMEN1KMT2A
SCHEMBL15079190 0.86 AHR (0.40) AHRPDE2APDE10AMEN1KMT2A
SCHEMBL15077796 0.83 AHR (0.44) AHRPDE2APDE10AMEN1KMT2A
SCHEMBL13260838 0.82 AHR (0.52) AHRPDE2APDE10AMEN1KMT2A
SCHEMBL15077804 0.80 AR (0.32) MEN1KMT2AMAPK1MAPTHTT
SCHEMBL13286446 0.80 PDE2A (0.44) AHRPDE2APDE10APDE7APOLB
SCHEMBL15079179 0.79 AHR (0.32) AHR
SCHEMBL13260797 0.79 AHR (0.42) AHRPDE2APDE10AMEN1KMT2A

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 AHR 4356/4885PDE2A 3630/4885PDE10A 2837/4885

“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.