SCHEMBL4562385

SCHEMBL4562385

c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-n2c3ccccc3c3ccncc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
ACHE P22303 1/20 0.39
DYRK1A Q13627 2/20 0.36
IDO1 P14902 3/20 0.36
SLC6A2 P23975 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL5943867 0.98 MKNK1 (0.40) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL5944225 0.93 MAPT (0.39) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL4561488 0.93 MKNK1 (0.39) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL20348119 0.92 MKNK1 (0.44) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL5944410 0.92 RAB9A (0.42) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL5944391 0.91 MKNK1 (0.38) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL2695285 0.91 MAOA (0.49) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL5943786 0.91 TOP2A (0.38) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL5944313 0.90 MKNK1 (0.38) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL4561409 0.89 MEN1 (0.40) MKNK1MKNK2DYRK1AMAPTKCNH2

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 10 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
EP-2457912-A1 Compound having pyridoindole ring structure having substituted pyridyl group attached thereto, and organic electroluminescence element Hodogaya Chemical Co., Ltd. (JP) 2012-05-30 EP disclosed
EP-2053051-B1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2012-05-02 EP 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

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 MKNK1 4339/4885MKNK2 4401/4885MAOA 151/4885
US-20120298969-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT PNPO, SCO2, OR10J3 MKNK1 4440/4885MKNK2 4604/4885MAOA 142/4885

“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.