SCHEMBL13804244

SCHEMBL13804244

c1cc(-c2cncnc2)c2cc(-c3cc(-c4cncnc4)c4cccc(-c5cncnc5)c4c3)cc(-c3cncnc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CYP2A6 P11509 1/20 0.38
PDK2 Q15119 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 3/20 0.37
CYP17A1 P05093 2/20 0.37
CYP3A4 P08684 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
HASPIN Q8TF76 1/20 0.35
NEK1 Q96PY6 1/20 0.35
TNF P01375 1/20 0.34
CYP1B1 Q16678 3/20 0.34
PRKDC P78527 1/20 0.33

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
SCHEMBL26260000 0.87 ATM (0.50) ATMCYP2A6PDK2ALOX5APFEN1
SCHEMBL13804238 0.87 GRM5 (0.41) ATMCYP3A4CYP1A2METAP2
SCHEMBL13804241 0.87 GRM5 (0.41) ATMCYP3A4CYP1A2METAP2
SCHEMBL13804240 0.87 GRM5 (0.41) ATMCYP3A4CYP1A2METAP2
SCHEMBL13811087 0.84 ATM (0.61) ATMCYP2A6ALOX5APFEN1CYP11B1
SCHEMBL13781525 0.81 CYP11B1 (0.59) CYP2A6CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL13785083 0.80 ATM (0.61) ATMCYP2A6CYP11B1CYP11B2METAP2
SCHEMBL13915447 0.78 ATM (0.56) ATMCYP2A6PDK2ALOX5APFEN1
SCHEMBL13811088 0.78 SRC (0.36) ATMCYP2A6PDK2ALOX5APFEN1
SCHEMBL18253148 0.78 TNF (0.52) ATMPDK2CYP11B1CYP11B2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090160315-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160315-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 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-20090160315-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME RPL19, L1CAM, ELAVL1 ATM 3906/4885CYP2A6 1949/4885PDK2 2198/4885

“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.