SCHEMBL3483049

SCHEMBL3483049

Cn1nc(O)c2c[c]ccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3483035 0.79 ADORA2A (0.48) ADORA2AADORA2B
SCHEMBL2563733 0.78 GSK3B (0.34) ADORA2AADORA2B
SCHEMBL15516454 0.78 CCR4 (0.31) ADORA2AADORA2B
SCHEMBL15515498 0.77 IDO1 (0.31) KDM4E
SCHEMBL3483246 0.77 ESR1 (0.37) ESR1ADORA2AADORA2B
SCHEMBL15515042 0.75 GRM4 (0.33) KDM4E
SCHEMBL15515995 0.75 CREBBP (0.34)
SCHEMBL2931203 0.75 KDM4E (0.38) ADORA2AADORA2BKDM4E
SCHEMBL16720389 0.73 HSD17B2 (0.40) ESR1ADORA2AADORA2BKDM4E
SCHEMBL15515604 0.73 GRM4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ESR1 968/4885ADORA2A 488/4885ADORA2B 224/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ESR1 1294/4885ADORA2A 680/4885ADORA2B 345/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ESR1 1294/4885ADORA2A 680/4885ADORA2B 345/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 ESR1 4678/4885ADORA2A 1309/4885ADORA2B 949/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ESR1 1294/4885ADORA2A 680/4885ADORA2B 345/4885

“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.