SCHEMBL6982246

SCHEMBL6982246

Cc1cccc(-c2nnn[nH]2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.54
CCR8 P51685 1/20 0.54
METAP2 P50579 1/20 0.43
TGFBR1 P36897 10/20 0.41
CYP2A6 P11509 1/20 0.40
MAPK14 Q16539 3/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
BTK Q06187 1/20 0.32

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
SCHEMBL12075530 0.86 MEN1 (0.36) CCR1CCR8BTK
SCHEMBL12598652 0.84 CCR1 (0.37) CCR1CCR8BTK
SCHEMBL12598648 0.84 CCR1 (0.37) CCR1CCR8BTK
SCHEMBL30433661 0.78 ASIC3 (0.46) NOS3NOS2
SCHEMBL20557572 0.78 ASIC3 (0.46) NOS3NOS2
SCHEMBL19919698 0.77 BTK (0.31) TGFBR1BTK
SCHEMBL29672802 0.77 BTK (0.56) TGFBR1BTK
SCHEMBL15886669 0.77 BTK (0.56) TGFBR1BTK
SCHEMBL16473174 0.74 IDO1 (0.39)
SCHEMBL12598659 0.73 KDM4E (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110699063-B Application of 6-methylpyridine tetrazole tetranuclear copper [ I ] complex in stimulus response luminescent and photochromic material 江西理工大学 2022-08-05 CN disclosed
CN-110699063-A Application of 6-methylpyridine tetrazole tetranuclear copper [ I ] complex in stimulus response luminescent and photochromic material 江西理工大学 2020-01-17 CN disclosed
EP-2188620-B1 COMPOUNDS USEFUL AS LIGANDS AND PARTICULARLY AS ORGANIC CHROMOPHORES FOR COMPLEXING LANTHANIDES AND APPLICATIONS THEREOF COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-23 EP disclosed
US-9040689-B2 Compounds useful as ligands and particularly as organic chromophores for complexing lanthanides and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2015-05-26 US disclosed
US-9040689-B2 Compounds useful as ligands and particularly as organic chromophores for complexing lanthanides and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2015-05-26 US disclosed
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-29 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
US-20110112289-A1 COMPOUNDS USEFUL AS LIGANDS AND PARTICULARLY AS ORGANIC CHROMOPHORES FOR COMPLEXING LANTHANIDES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-05-12 US disclosed
US-20110112289-A1 COMPOUNDS USEFUL AS LIGANDS AND PARTICULARLY AS ORGANIC CHROMOPHORES FOR COMPLEXING LANTHANIDES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-05-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2009037277-A1 COMPOUNDS USEFUL AS LIGANDS AND PARTICULARLY AS ORGANIC CHROMOPHORES FOR COMPLEXING LANTHANIDES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-03-26 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 (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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR CCR1 3313/4885CCR8 2654/4885METAP2 2058/4885
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 CCR1 335/4885CCR8 1465/4885METAP2 2384/4885
US-20110112289-A1 COMPOUNDS USEFUL AS LIGANDS AND PARTICULARLY AS ORGANIC CHROMOPHORES FOR COMPLEXING LANTHANIDES AND APPLICATIONS THEREOF LAGE3, LOXL1, TBCB CCR1 2063/4885CCR8 2534/4885METAP2 4032/4885
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 CCR1 373/4885CCR8 1413/4885METAP2 2328/4885

“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.