SCHEMBL2084341

SCHEMBL2084341

Cc1ncccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
GCK P35557 1/20 0.49
TGFBR1 P36897 1/20 0.46
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
MAP4K4 O95819 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LTA4H P09960 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42

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
SCHEMBL10388637 0.96 ADORA2A (0.49) ADORA2AADORA1GCKTGFBR1PTGS1
SCHEMBL9342675 0.86 KMT2A (0.50) ADORA2AADORA1TGFBR1MAP4K4ALDH1A1
SCHEMBL6545410 0.85 ADORA2A (0.50) ADORA2AADORA1GCKTGFBR1MAP4K4
SCHEMBL9343291 0.85 TGFBR1 (0.44) ADORA2AADORA1TGFBR1MAP4K4ALDH1A1
SCHEMBL4796319 0.83 TGFBR1 (0.43) ADORA2AADORA1GCKTGFBR1MAP4K4
SCHEMBL9764726 0.83 PTGS1 (0.46) ADORA2AADORA1GCKTGFBR1PTGS1
SCHEMBL4796326 0.83 MEN1 (0.56) ADORA2AADORA1GCKTGFBR1MAP4K4
SCHEMBL9340516 0.83 NR1I2 (0.46) ADORA2AADORA1TGFBR1PTGS1PTGS2
SCHEMBL1476228 0.81 RXRA (0.49)
SCHEMBL12301193 0.79 MAPT (0.61) TDP1ALDH1A1L3MBTL1CHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
EP-2220083-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-7488728-B2 Pyridinylmorpholine derivatives ELI LILLY AND COMPANY (US) 2009-02-10 US disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-4776880-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-11 US disclosed
CN-87103544-A Fungicidal agents ICI PLC (GB) 1988-04-06 CN disclosed
US-4731107-A Certain 6-diphenoxymethyl-2-pyridinyl-oxy-propanoates having herbicidal properties THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed
EP-0243012-A2 Pyridyl-acrylic acid ester derivatives, process for their preparation and their use as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-28 EP disclosed
US-4692183-A BROADLEAF GRASSES THE DOW CHEMICAL COMPANY (US) 1987-09-08 US disclosed
US-4685953-A PREEMERGENCE AND POST EMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1987-08-11 US disclosed
US-4661144-A Certain 6-aminomethyl or monoalkylamino or dialkylamino or heterocyclicamino-2-diphenoxymethyl pyridines having herbicidal activity THE DOW CHEMICAL COMPANY (US) 1987-04-28 US disclosed
US-4606757-A Diphenoxymethylpyridines having herbicidal properties THE DOW CHEMICAL COMPANY (US) 1986-08-19 US disclosed
US-4251662-A INSECTICIDES, MITICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1981-02-17 US disclosed
US-4123347-A HYDROGEN DONOR SOLVENT EXXON RESEARCH & ENGINEERING CO. (US) 1978-10-31 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 (1 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ADORA2A 58/4885ADORA1 53/4885GCK 2490/4885

“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.