SCHEMBL2301704

SCHEMBL2301704

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5nccc6ccccc56)cc4)cc(-c4ccc(-c5nccc6ccccc56)cc4)c3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
MAPT P10636 2/20 0.53
ATM Q13315 2/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
CYP2C19 P33261 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2A6 P11509 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL14950027 0.97 KDM4E (0.57) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL18325326 0.90 KDM4E (0.52) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL16026675 0.90 MAPT (0.50) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL16026757 0.90 MAPT (0.50) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL18325300 0.89 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL11976486 0.88 ALDH1A1 (0.63) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL18325271 0.87 KDM4E (0.45) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL3142955 0.87 ALDH1A1 (0.65) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL11976500 0.86 KDM4E (0.55) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL20553776 0.85 KDM4E (0.68) NPC1RAB9AKDM4EALDH1A1CYP1A2

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 10 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

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 NPC1 4344/4885RAB9A 4644/4885KDM4E 581/4885

“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.