SCHEMBL359497

SCHEMBL359497

CN1CC[C@@H](NC(=O)NCc2cccnc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
FES P07332 1/20 0.50
RET P07949 1/20 0.50
MARK3 P27448 1/20 0.50
TYK2 P29597 1/20 0.50
FLT4 P35916 1/20 0.50
SYK P43405 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
P2RX7 Q99572 1/20 0.50
NAMPT P43490 5/20 0.49
DRD4 P21917 1/20 0.49
KMT2A Q03164 1/20 0.48
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
HSD11B1 P28845 1/20 0.48

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
SCHEMBL12217289 0.86 NAMPT (0.56) ALDH1A1CYP2C9TSHRCYP2C19L3MBTL1
SCHEMBL12193355 0.86 ALDH1A1 (0.49) ALDH1A1CYP2C9TSHRCYP2C19L3MBTL1
SCHEMBL358475 0.85 NAMPT (0.64) ALDH1A1P2RX7NAMPTDRD4
SCHEMBL13242298 0.85 DRD4 (0.66) NAMPTDRD4KMT2A
SCHEMBL12320863 0.84 ALDH1A1 (0.50) ALDH1A1CYP2C9TSHRCYP2C19L3MBTL1
SCHEMBL14263118 0.81 EPHX2 (0.52) ALDH1A1TSHRNAMPTDRD4
SCHEMBL14406194 0.80 EPHX1 (0.71) ALDH1A1CYP2C9TSHRCYP2C19FES
SCHEMBL357690 0.80 SSTR1 (0.53) NAMPTDRD4KMT2A
SCHEMBL360442 0.80 SSTR1 (0.53) NAMPTDRD4KMT2A
SCHEMBL14392388 0.80 SSTR1 (0.53) NAMPTDRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 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-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP 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
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-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
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP 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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 478/4885CYP2C9 246/4885TSHR 230/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885CYP2C9 7/4885TSHR 1199/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885CYP2C9 7/4885TSHR 1199/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ALDH1A1 201/4885CYP2C9 810/4885TSHR 562/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885CYP2C9 7/4885TSHR 1199/4885

“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.