SCHEMBL586396

SCHEMBL586396

c1cnc(-c2ncncn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
CYP2A6 P11509 1/20 0.40
HDAC8 Q9BY41 1/20 0.35
CLK4 Q9HAZ1 1/20 0.32
ADRB2 P07550 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
METAP1 P53582 1/20 0.32
BLM P54132 1/20 0.32
HIF1A Q16665 1/20 0.32
DOHH Q9BU89 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
CYP19A1 P11511 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
SCHEMBL373166 0.86 HSP90AA1 (0.50) HSP90AA1
SCHEMBL18327346 0.83 CYP2A6 (0.44) HSP90AA1CYP2A6CLK4ADRB2CYP19A1
SCHEMBL28387649 0.82 HSP90AA1 (0.47) HSP90AA1
Hydrochloric Acid SCHEMBL4760945 0.82 HSP90AA1 (0.47) HSP90AA1
SCHEMBL171853 0.82 HDAC8 (0.47) HSP90AA1CYP2A6HDAC8CLK4ADRB2
Pyridine SCHEMBL28889000 0.81 NAPRT (0.53) HSP90AA1CYP2A6TDP1
Dipyridyl SCHEMBL29148818 0.79 KDM4E (0.67) HSP90AA1CYP2A6KDM4ETDP1TP53
SCHEMBL17144230 0.78 HDAC8 (0.44) HSP90AA1CYP2A6HDAC8CLK4ADRB2
Hydrochloric Acid SCHEMBL6534749 0.78 HDAC8 (0.44) HSP90AA1CYP2A6HDAC8CLK4ADRB2
SCHEMBL4270187 0.78 HDAC8 (0.44) HSP90AA1CYP2A6HDAC8CLK4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551116-A Structure, preparation and magnetism of trinuclear dysprosium complex based on 2,4, 6-tri (2-pyrimidinyl) -1,3, 5-triazine 桂林理工大学 2024-02-13 CN claimed
CN-117551116-A Structure, preparation and magnetism of trinuclear dysprosium complex based on 2,4, 6-tri (2-pyrimidinyl) -1,3, 5-triazine 桂林理工大学 2024-02-13 CN disclosed
CN-117551116-A Structure, preparation and magnetism of trinuclear dysprosium complex based on 2,4, 6-tri (2-pyrimidinyl) -1,3, 5-triazine 桂林理工大学 2024-02-13 CN disclosed
CN-117551116-A Structure, preparation and magnetism of trinuclear dysprosium complex based on 2,4, 6-tri (2-pyrimidinyl) -1,3, 5-triazine 桂林理工大学 2024-02-13 CN disclosed
US-20240026218-A1 METAL-ASSISTED DELAYED FLUORESCENT MATERIALS AS CO-HOST MATERIALS FOR FLUORESCENT OLEDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2024-01-25 US disclosed
US-20240026218-A1 METAL-ASSISTED DELAYED FLUORESCENT MATERIALS AS CO-HOST MATERIALS FOR FLUORESCENT OLEDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2024-01-25 US disclosed
US-11795387-B2 Metal-assisted delayed fluorescent materials as co-host materials for fluorescent OLEDs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-10-24 US disclosed
US-11795387-B2 Metal-assisted delayed fluorescent materials as co-host materials for fluorescent OLEDs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-10-24 US disclosed
US-20230263002-A1 ORGANIC LIGHT-EMITTING DIODES WITH FLUORESCENT AND PHOSPHORESCENT EMITTERS UNIV ARIZONA STATE (US) 2023-08-17 US disclosed
US-20230263002-A1 ORGANIC LIGHT-EMITTING DIODES WITH FLUORESCENT AND PHOSPHORESCENT EMITTERS UNIV ARIZONA STATE (US) 2023-08-17 US disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
EP-1090000-A4 NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1089729-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2002-11-06 EP disclosed
WO-2001029045-A1 GRAM-POSITIVE SELECTIVE ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2001-04-26 WO disclosed
EP-1090000-A1 NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2001-04-11 EP disclosed
EP-1089729-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-1999066927-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-12-29 WO disclosed
WO-1999067242-A1 NAPHTHO[1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-12-29 WO 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-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 HSP90AA1 2278/4885CYP2A6 2733/4885HDAC8 1199/4885
US-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 HSP90AA1 3306/4885CYP2A6 3190/4885HDAC8 2010/4885

“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.