SCHEMBL2300258

SCHEMBL2300258

CC(C)(C)c1c[c]nc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
GPR3 P46089 2/20 0.35
ATM Q13315 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KIF11 P52732 1/20 0.33
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
NUDT1 P36639 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
TNKS O95271 1/20 0.30

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
SCHEMBL20526115 0.81 BACE1 (0.51) BACE1GPR3ELANEALDH1A1TSHR
SCHEMBL411657 0.74 CYP1A2 (0.45) BACE1GPR3ALDH1A1CYP1A2HPGD
SCHEMBL9479380 0.73 KCNH2 (0.36) GPR3ATMKIF11HPGDPOLB
SCHEMBL5751117 0.71 TNKS2 (0.40) GPR3ELANEALDH1A1CYP1A2HPGD
SCHEMBL1826639 0.69 MAOA (0.41) GPR3ALDH1A1TSHRTDP1CYP1A2
SCHEMBL9479290 0.69 CYP1A2 (0.38) BACE1GPR3ALDH1A1TSHRTDP1
SCHEMBL6179959 0.69 GPR3 (0.37) GPR3ALDH1A1TSHRTDP1CYP1A2
SCHEMBL442600 0.69 IDO1 (0.39) GPR3ALDH1A1TDP1CYP1A2HPGD
SCHEMBL1146962 0.69 NCF1 (0.47) BACE1GPR3ALDH1A1TSHRTDP1
SCHEMBL4461176 0.69 GPR3 (0.37) GPR3ALDH1A1TSHRTDP1HPGD

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 BACE1 3466/4885GPR3 1757/4885ATM 1558/4885

“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.