SCHEMBL5944232

SCHEMBL5944232

c1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5cnccc54)n3)n2)cc(-n2c3ccccc3c3ccncc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 2/20 0.36
DYRK1A Q13627 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.32
KARS1 Q15046 1/20 0.31
TOP2A P11388 1/20 0.31
TNF P01375 1/20 0.31
GRM5 P41594 1/20 0.31
GRIN1 Q05586 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
SCHEMBL5944290 1.00 MAOA (0.36) MAOAMAOBACHEDYRK1AKDM4E
SCHEMBL14129188 0.97 DYRK1A (0.36) MAOAMAOBDYRK1AKDM4EATM
SCHEMBL5944378 0.97 MAOA (0.39) MAOAMAOBACHEDYRK1AKDM4E
SCHEMBL5944229 0.97 DYRK1A (0.36) MAOAMAOBDYRK1AKDM4EATM
SCHEMBL12919280 0.94 MAOA (0.40) MAOAMAOBACHEDYRK1AKDM4E
SCHEMBL9921850 0.91 MAOA (0.43) MAOAMAOBACHEKDM4EATM
SCHEMBL14706285 0.91 MAOA (0.43) MAOAMAOBACHEKDM4EATM
SCHEMBL12919256 0.90 CDK4 (0.37) MAOAMAOBACHEDYRK1AKDM4E
SCHEMBL9921806 0.90 MAOA (0.43) MAOAMAOBACHEKDM4EATM
SCHEMBL14706283 0.90 MAOA (0.43) MAOAMAOBACHEKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722209-B2 Compound having pyridoindole ring structure having substituted pyridyl group attached thereto, and organic electroluminescence element HODOGAYA CHEMICAL CO., LTD. (JP) 2014-05-13 US disclosed
US-8722209-B2 Compound having pyridoindole ring structure having substituted pyridyl group attached thereto, and organic electroluminescence element HODOGAYA CHEMICAL CO., LTD. (JP) 2014-05-13 US disclosed
US-20120298969-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2012-11-29 US disclosed
US-20120298969-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2012-11-29 US disclosed
US-8168308-B2 Compound having pyridoindole ring structure having substituted pyridyl group attached thereto, and organic electroluminescence element HODOGAYA CHEMICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-8168308-B2 Compound having pyridoindole ring structure having substituted pyridyl group attached thereto, and organic electroluminescence element HODOGAYA CHEMICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20100230660-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100230660-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2053051-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2009-04-29 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 (2 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-20100230660-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT SCO2, PNPO, WEE1 MAOA 151/4885MAOB 513/4885ACHE 1050/4885
US-20120298969-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT PNPO, SCO2, OR10J3 MAOA 142/4885MAOB 319/4885ACHE 1694/4885

“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.