SCHEMBL4562149

SCHEMBL4562149

Cc1ccc2c(c1)c1cnccc1n2-c1cccc(-c2cccc(-n3c4ccncc4c4cc(C)ccc43)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
ELANE P08246 5/20 0.39
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TOP2A P11388 1/20 0.34
CYP2A6 P11509 1/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP2K4 P45985 1/20 0.33

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
SCHEMBL4562476 0.99 ACHE (0.40) ACHEGRIN1GRIN2AELANEKMT2A
SCHEMBL16625773 0.93 ACHE (0.42) ACHEGRIN1GRIN2AELANEKMT2A
SCHEMBL4562466 0.91 MAPT (0.36) ACHEGRIN1GRIN2AELANEKMT2A
SCHEMBL4562463 0.90 MAPT (0.36) ACHEGRIN1GRIN2AELANEKMT2A
SCHEMBL17874990 0.89 ACHE (0.37) ACHEGRIN1GRIN2AKMT2AKDM4E
SCHEMBL14138406 0.85 ACHE (0.33) ACHEGRIN1GRIN2AELANE
SCHEMBL9268391 0.83 ACHE (0.32) ACHEGRIN1GRIN2A
SCHEMBL19084770 0.82 ACHE (0.43) ACHEGRIN1GRIN2AELANEKDM4E
SCHEMBL2695285 0.81 MAOA (0.49) ACHEGRIN1GRIN2AKDM4EMAOA
SCHEMBL2692512 0.80 MAOA (0.48) ACHEGRIN1GRIN2AKDM4ELMNA

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
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 ACHE 1050/4885GRIN1 748/4885GRIN2A 2017/4885
US-20120298969-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE HAVING SUBSTITUTED PYRIDYL GROUP ATTACHED THERETO, AND ORGANIC ELECTROLUMINESCENCE ELEMENT PNPO, SCO2, OR10J3 ACHE 1694/4885GRIN1 1182/4885GRIN2A 2742/4885

“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.