SCHEMBL1908656

SCHEMBL1908656

CCNC(=O)NCCNC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 1/20 0.46
PAOX Q6QHF9 3/20 0.45
EPHX1 P07099 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CNR1 P21554 1/20 0.44
EPHX2 P34913 1/20 0.42
ADRA1A P35348 1/20 0.40
F13A1 P00488 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL1908698 0.91 KDM4E (0.58) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL23173031 0.89 EPHX1 (0.52) TSHREPHX1ALDH1A1EPHX2SMN1; SMN2
SCHEMBL12810264 0.89 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL19881250 0.85 EPHX1 (0.58) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL22526230 0.83 MEN1 (0.44) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL28293734 0.81 MMP1 (0.48) EPHX1ALDH1A1EPHX2SMN1; SMN2
SCHEMBL8107 0.81 KDM4E (0.71) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL320068 0.81
SCHEMBL22260405 0.80 KDM4E (0.47) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL6280293 0.80 EPHX1 (0.44) TSHREPHX1ALDH1A1EPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9690195-B2 Lithographic printing plate precursors and processes for preparing lithographic printing plates FUJIFILM CORPORATION (JP) 2017-06-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 KDM4E 4772/4885MAPK1 3463/4885HIF1A 2224/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 KDM4E 3873/4885MAPK1 3538/4885HIF1A 3371/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 KDM4E 3873/4885MAPK1 3538/4885HIF1A 3371/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 KDM4E 4184/4885MAPK1 1534/4885HIF1A 773/4885

“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.