SCHEMBL3294308

SCHEMBL3294308

Cc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)ccc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43

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
SCHEMBL3299769 0.94 NPC1 (0.50) CA12CA1CA2CA9NPC1
SCHEMBL13154792 0.89 KDM4E (0.42) CA12CA1CA2CA9NPC1
SCHEMBL3295246 0.89 CYP11B1 (0.41) CA12CA1CA2CA9NPC1
SCHEMBL13154370 0.88 KDM4E (0.49) CA12CA1CA2CA9NPC1
SCHEMBL13154435 0.87 KDM4E (0.50) NPC1KDM4ESMN1; SMN2TP53MAPT
SCHEMBL13154791 0.87 CCR1 (0.42) NPC1KDM4ESMN1; SMN2TP53MAPT
SCHEMBL10068442 0.84 CA12 (0.59) CA12CA1CA2CA9KDM4E
SCHEMBL13154576 0.84 KDM4E (0.45) NPC1KDM4ESMN1; SMN2TP53MAPT
SCHEMBL13154454 0.83 KDM4E (0.51) CA12CA1CA2CA9NPC1
SCHEMBL13154777 0.83 KDM4E (0.45) NPC1KDM4ESMN1; SMN2TP53MAPT

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 6 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

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 CA12 4117/4885CA1 3556/4885CA2 3638/4885

“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.