SCHEMBL4561522

SCHEMBL4561522

c1cc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)n2)nc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.37
▸ MAOB P27338 4/20 0.37
▸ ACHE P22303 2/20 0.37
▸ CYP2D6 P10635 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ TOP2A P11388 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL4562405 1.00 MAOA (0.37) MAOAMAOBACHECYP2D6MKNK1
SCHEMBL5944105 0.93 MKNK1 (0.33) MAOAACHEMKNK1MKNK2ERBB2
SCHEMBL4561449 0.93 MKNK1 (0.33) MAOAACHEMKNK1MKNK2ERBB2
SCHEMBL13006468 0.87 HSP90AA1 (0.33) MAOAMAOBACHEMKNK1MKNK2
SCHEMBL1485885 0.87 MAOA (0.41) MAOAMAOBACHECYP2D6MKNK1
SCHEMBL13006469 0.86 MAPK14 (0.32) MAOAMAOBACHEMKNK1MKNK2
SCHEMBL12919234 0.86 MAOA (0.35) MAOAMAOBACHECYP2D6TOP2A
SCHEMBL13006544 0.86 MAOA (0.31) MAOAMAOBACHETNF
SCHEMBL2692512 0.86 MAOA (0.48) MAOAMAOBACHECYP2D6MKNK1
SCHEMBL12919238 0.84 MAOA (0.34) MAOAMAOBACHECYP2D6TOP2A

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 11 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
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.

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