SCHEMBL359196

SCHEMBL359196

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
ROCK2 O75116 5/20 0.58
ROCK1 Q13464 3/20 0.58
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
MMP13 P45452 2/20 0.49
CLK1 P49759 2/20 0.49
CHRM3 P20309 1/20 0.47
DHX9 Q08211 1/20 0.46
KLKB1 P03952 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PRKACA P17612 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PRKX P51817 1/20 0.46
PRKCQ Q04759 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MAPK8 P45983 1/20 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
SCHEMBL10224605 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ROCK2ROCK1LMNAHPGD
SCHEMBL357618 0.80 TSHR (0.53) SMN1; SMN2ROCK2ROCK1
SCHEMBL30309985 0.80 SMN1; SMN2 (0.74) SMN1; SMN2ROCK2ROCK1LMNAHPGD
SCHEMBL14917101 0.77 DHX9 (0.69) SMN1; SMN2ROCK1LMNACLK1DHX9
SCHEMBL13211939 0.77 SMN1; SMN2 (0.76) SMN1; SMN2LMNAHPGDMMP13CLK1
SCHEMBL9416647 0.77 ROCK2 (0.65) ROCK2ROCK1LMNAHPGDMMP13
SCHEMBL5724150 0.76 ROCK2 (0.68) ROCK2ROCK1HPGDSRCPPARG
SCHEMBL360181 0.75 ROCK2 (0.65) ROCK2ROCK1SRC
SCHEMBL14789741 0.74 SMN1; SMN2 (0.60) SMN1; SMN2ROCK2LMNAHPGDKLKB1
SCHEMBL31260035 0.74 SMN1; SMN2 (0.60) SMN1; SMN2ROCK2LMNAHPGDKLKB1

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 SMN1; SMN2 2150/4885ROCK2 3534/4885ROCK1 2764/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 SMN1; SMN2 2150/4885ROCK2 3534/4885ROCK1 2764/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 SMN1; SMN2 2150/4885ROCK2 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.