SCHEMBL13321978

SCHEMBL13321978

C1=CN(c2ccccc2)C(=C2N(c3ccccc3)C=CN2c2ccccc2)N1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MGLL Q99685 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 3/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
MPI P34949 1/20 0.33
HTR3E A5X5Y0 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
SCHEMBL15840870 0.79 GAA (0.41) LMNAKDM4EATML3MBTL1MGLL
SCHEMBL23131277 0.68 GSK3A (0.34) LMNAATMGSK3AGSK3BMAPT
SCHEMBL6441333 0.67 NOTUM (0.40) LMNAKDM4EATML3MBTL1MGLL
SCHEMBL4989924 0.62 SIGMAR1 (0.40) LMNAKDM4EATML3MBTL1MGLL
Naphthalene SCHEMBL10950819 0.61 CYP2A6 (0.47) LMNAKDM4EATML3MBTL1MGLL
SCHEMBL7174001 0.61 NOTUM (0.36) LMNAKDM4EATML3MBTL1MGLL
SCHEMBL1007068 0.61 KDM4E (0.35) LMNAKDM4EATML3MBTL1MGLL
SCHEMBL17383504 0.61 ALDH1A1 (0.46) KDM4EATML3MBTL1MGLLHPGD
SCHEMBL1007069 0.61 MAPT (0.39) LMNAKDM4EATML3MBTL1MGLL
SCHEMBL4397208 0.61 LMNA (0.37) LMNAKDM4EATML3MBTL1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9846385-B2 Organic light emitting element and display device CANON KABUSHIKI KAISHA (JP) 2017-12-19 US disclosed
US-9846385-B2 Organic light emitting element and display device CANON KABUSHIKI KAISHA (JP) 2017-12-19 US disclosed
US-9842997-B2 Organic light emitting element and display device CANON KABUSHIKI KAISHA (JP) 2017-12-12 US disclosed
US-9842997-B2 Organic light emitting element and display device CANON KABUSHIKI KAISHA (JP) 2017-12-12 US disclosed
US-20150162545-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2015-06-11 US disclosed
US-20150162545-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2015-06-11 US disclosed
US-20150162549-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2015-06-11 US disclosed
US-20150162549-A1 ORGANIC LIGHT EMITTING ELEMENT AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2015-06-11 US disclosed
US-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2010-05-27 US disclosed
US-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2010-05-27 US disclosed
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2008-11-27 US disclosed
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2008-11-27 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-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS FASN, LIPC, ACSL4 LMNA 2890/4885KDM4E 2515/4885ATM 4384/4885
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS FFAR4, FASN, CEL LMNA 1909/4885KDM4E 1512/4885ATM 4491/4885

“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.