SCHEMBL2302808

SCHEMBL2302808

CC(C)(C)c1[c]nc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NQO2 P16083 5/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33
ELANE P08246 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
NCF1 P14598 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TNF P01375 1/20 0.32
NOD1 Q9Y239 1/20 0.32
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL2407261 0.79 MAPT (0.40) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL410281 0.71 MAPT (0.46) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL577635 0.71 HDAC6 (0.46) MAPTKDM4EALDH1A1AKT1AKT2
SCHEMBL9479447 0.71 MAPT (0.36) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL9480318 0.69 MAPT (0.48) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL8916440 0.68 MAPT (0.41) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL12132910 0.67 MAPT (0.53) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL315192 0.67 MAPT (0.46) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL9479792 0.67 MAPT (0.46) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL558407 0.67 TDP1 (0.50) MAPTNQO2KDM4EALDH1A1GAA

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 4 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
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
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 MAPT 2757/4885NQO2 2438/4885KDM4E 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.