SCHEMBL8499115

SCHEMBL8499115

c1cc(-c2ccncn2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.44
NOTUM Q6P988 1/20 0.42
IDO1 P14902 1/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK9 P45984 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 1/20 0.41
NPC1 O15118 2/20 0.40
MAPK10 P53779 2/20 0.40
GRM5 P41594 1/20 0.40
DYRK1A Q13627 1/20 0.39
CYP19A1 P11511 1/20 0.39
GSK3B P49841 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9903935 0.92 CYP2D6 (0.60) CYP2D6MAPTLMNAHSP90AA1MAPK14
SCHEMBL29500071 0.85 MAPK13 (0.54) CYP2D6HSP90AA1NOTUMMAPK14MAPK9
SCHEMBL2131373 0.85 MAPK13 (0.54) CYP2D6HSP90AA1NOTUMMAPK14MAPK9
Pyridine SCHEMBL28310314 0.84 MAPK13 (0.50) CYP2D6HSP90AA1NOTUMMAPK14MAPK9
SCHEMBL14425913 0.84 CYP2D6 (0.46) CYP2D6MAPTLMNANOTUMMAPK14
SCHEMBL2077041 0.83 LMNA (0.56) CYP2D6MAPTLMNANOTUMIDO1
Water SCHEMBL28117193 0.83 MAPK13 (0.53) CYP2D6HSP90AA1NOTUMMAPK14MAPK9
Hydrochloric Acid SCHEMBL11869763 0.83 MAPK13 (0.53) CYP2D6HSP90AA1NOTUMMAPK14MAPK9
SCHEMBL27926491 0.83 MAPK13 (0.53) CYP2D6HSP90AA1NOTUMMAPK14MAPK9
SCHEMBL30595872 0.83 HSP90AA1 (0.52) CYP2D6MAPTLMNAHSP90AA1MAPK14

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP claimed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO claimed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
CN-109970806-B Organic metal iridium complex, preparation method thereof and application thereof in OLED 中节能万润股份有限公司 2021-08-13 CN disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed
US-10930853-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-23 US disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
US-10774078-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2020-09-15 US disclosed
WO-2020165310-A1 PYRIDINIUM COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020161162-A1 HERBICIDAL PYRIDINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
US-20190330202-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2019-10-31 US disclosed
US-20170155048-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
CN-105579445-A Heterocyclic compound and organic light emitting device including the same LG CHEMICAL LTD 2016-05-11 CN disclosed
US-9059414-B2 Phosphorescent organometallic iridium complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-16 US disclosed
US-20150073144-A1 Phosphorescent Organometallic Iridium Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2015-03-12 US disclosed
US-8889858-B2 Phosphorescent organometallic iridium complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-11-18 US disclosed
CN-103374043-A Phosphorescent organometallic iridium complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LAB 2013-10-30 CN disclosed
US-20130281693-A1 Phosphorescent Organometallic Iridium Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-24 US disclosed
US-20130004859-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2013-01-03 US disclosed
US-20130004859-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2013-01-03 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 (4 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-10774078-B2 Compounds UCHL1, UCHL3, UCHL5 CYP2D6 2375/4885MAPT 2227/4885LMNA 4091/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2D6 2710/4885MAPT 2428/4885LMNA 4089/4885
US-20190330202-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2D6 2710/4885MAPT 2428/4885LMNA 4089/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2D6 2710/4885MAPT 2428/4885LMNA 4089/4885

“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.