SCHEMBL359244

SCHEMBL359244

Cn1cnc(NC(=O)NCc2ccccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 3/20 0.59
SHMT2 P34897 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
ALOX15 P16050 2/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL359246 0.80 RAB9A (0.59) RAB9ANPC1SHMT2L3MBTL1SMN1; SMN2
SCHEMBL29460273 0.77 SMN1; SMN2 (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL21065524 0.77 SMN1; SMN2 (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL358956 0.76 NPC1 (0.65) RAB9ANPC1SHMT2L3MBTL1SMN1; SMN2
SCHEMBL356085 0.75 ROCK2 (0.46) L3MBTL1SMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL11618998 0.75 RAB9A (1.00) RAB9ANPC1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL13870660 0.74 SMN1; SMN2 (0.69) RAB9ANPC1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL17792684 0.73 SHMT2 (1.00) RAB9ANPC1SHMT2L3MBTL1SMN1; SMN2
SCHEMBL13266991 0.73 SMN1; SMN2 (0.67) RAB9ANPC1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL20380104 0.73 L3MBTL1 (1.00) RAB9ANPC1L3MBTL1SMN1; 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 11 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
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 RAB9A 2007/4885NPC1 154/4885SHMT2 4316/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 RAB9A 2007/4885NPC1 154/4885SHMT2 4316/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 RAB9A 2007/4885NPC1 154/4885SHMT2 4316/4885

“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.