SCHEMBL357618

SCHEMBL357618

Cn1cc(NC(=O)NCc2cccc(O)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
NAMPT P43490 3/20 0.50
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 1/20 0.46
AURKB Q96GD4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.45
FSCN1 Q16658 3/20 0.45

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
SCHEMBL359874 0.85 ROCK2 (0.53) TSHRROCK2ROCK1NAMPTMAPK1
SCHEMBL359196 0.80 SMN1; SMN2 (0.63) ROCK2ROCK1SMN1; SMN2
SCHEMBL12658662 0.80 HIF1A (0.49) ROCK2ROCK1SMN1; SMN2L3MBTL1HIF1A
SCHEMBL359215 0.76 ROCK2 (0.46) ROCK2ROCK1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL356085 0.76 ROCK2 (0.46) ROCK2ROCK1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL8368743 0.74 ALDH1A1 (0.59) TSHRNAMPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL358956 0.74 NPC1 (0.65) TSHRSMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL13984317 0.74 ERCC1 (0.60) ROCK2ROCK1NAMPTSMN1; SMN2L3MBTL1
SCHEMBL3246062 0.74 ROCK2 (0.70) ROCK2ROCK1NAMPTSMN1; SMN2HIF1A
SCHEMBL23019288 0.73 ROCK2 (0.63) TSHRROCK2ROCK1NAMPTMAPK1

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 12 patents. 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-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885ROCK2 3534/4885ROCK1 2764/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885ROCK2 3534/4885ROCK1 2764/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885ROCK2 3534/4885ROCK1 2764/4885

“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.