SCHEMBL358956

SCHEMBL358956

Cn1cc(NC(=O)NCc2ccccn2)cn1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
ALOX15 P16050 1/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
SHMT2 P34897 1/20 0.57
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL11618998 0.80 RAB9A (1.00) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL359128 0.80 LMNA (0.62) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL20380104 0.78 L3MBTL1 (1.00) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL359244 0.76 RAB9A (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL359246 0.76 RAB9A (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL15408023 0.76 GRM4 (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL29460273 0.76 SMN1; SMN2 (0.79) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL21065524 0.76 SMN1; SMN2 (0.79) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL8368743 0.75 ALDH1A1 (0.59) L3MBTL1SMN1; SMN2TSHRHTT
SCHEMBL20379469 0.75 NPC1 (0.78) NPC1RAB9AL3MBTL1SMN1; SMN2ALOX15

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 NPC1 154/4885RAB9A 2007/4885L3MBTL1 2749/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 NPC1 154/4885RAB9A 2007/4885L3MBTL1 2749/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 NPC1 154/4885RAB9A 2007/4885L3MBTL1 2749/4885

“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.