SCHEMBL2313478

SCHEMBL2313478

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6cncc7ccccc67)nc5)cc(-c5ccc(-c6cncc7ccccc67)nc5)c4)n3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.45
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 8/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAP3K8 P41279 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CYP17A1 P05093 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TLR9 Q9NR96 1/20 0.35
ERN1 O75460 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL21981983 0.85 MAPT (0.43) CYP11B1CYP11B2HSD17B1HSD17B2IDO1
SCHEMBL17320797 0.82 PRKCZ (0.48) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL18327512 0.82 PRKCZ (0.58) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL17343300 0.82 PRKCZ (0.54) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL17343303 0.82 PRKCZ (0.62) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL18327516 0.82 PRKCZ (0.58) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL18327580 0.80 PRKCZ (0.55) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL18327622 0.80 PRKCZ (0.50) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL13759509 0.80 PRKCZ (0.43) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL17343307 0.80 MAPT (0.40) CYP11B1CYP11B2HSD17B1HSD17B2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 US disclosed
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 US disclosed
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 US disclosed
EP-2351750-B1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT TOSOH CORP (JP) 2014-03-12 EP disclosed
EP-2351750-B1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT TOSOH CORP (JP) 2014-03-12 EP disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 US disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 US disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 US disclosed
EP-2351750-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2011-08-03 EP disclosed
EP-2351750-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2011-08-03 EP disclosed
WO-2010038854-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT 東ソー株式会社 (JP) 2010-04-08 WO 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-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT ASH2L, SETDB1, KAT5 PRKCZ 4761/4885CYP11B1 1323/4885CYP11B2 1254/4885

“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.