SCHEMBL3298732

SCHEMBL3298732

Cc1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)ccc1-c1cncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.44
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP17A1 P05093 3/20 0.40
NPC1 O15118 4/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3295246 0.93 CYP11B1 (0.41) PRKCZCYP11B1CYP11B2KDM4ETDP1
SCHEMBL3299769 0.86 NPC1 (0.50) KDM4ETDP1NPC1TP53MAPT
SCHEMBL13154370 0.83 KDM4E (0.49) KDM4ETDP1NPC1TP53MAPT
SCHEMBL3294308 0.81 CA12 (0.46) KDM4ETDP1NPC1TP53MAPT
SCHEMBL3303640 0.79 KDM4E (0.49) KDM4ETDP1NPC1TP53MAPT
SCHEMBL13154556 0.78 KDM4E (0.51) KDM4ETDP1NPC1TP53MAPT
SCHEMBL13154776 0.78 KDM4E (0.45) KDM4ETDP1NPC1TP53MAPT
SCHEMBL13154793 0.78 KDM4E (0.45) KDM4ETDP1CYP3A4CYP2D6NPC1
SCHEMBL13154792 0.78 KDM4E (0.42) KDM4ETDP1NPC1TP53MAPT
SCHEMBL3298266 0.78 MAPT (0.46) KDM4ETDP1NPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236506-A1 Compound having triazine ring structure substituted with group and organic electroluminescent device Hodogaya Chemical Co., Ltd. (JP) 2010-10-06 EP disclosed
EP-2236506-A1 Compound having triazine ring structure substituted with group and organic electroluminescent device Hodogaya Chemical Co., Ltd. (JP) 2010-10-06 EP disclosed
US-20100090588-A1 COMPOUND HAVING TRIAZINE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20100090588-A1 COMPOUND HAVING TRIAZINE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20100090588-A1 COMPOUND HAVING TRIAZINE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-04-15 US disclosed
EP-2055704-A1 COMPOUND HAVING TRIAZINE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2009-05-06 EP disclosed
EP-2055704-A1 COMPOUND HAVING TRIAZINE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2009-05-06 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-20100090588-A1 COMPOUND HAVING TRIAZINE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE SCO2, OR51E2, NONO PRKCZ 4851/4885CYP11B1 1283/4885CYP11B2 1259/4885

“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.