SCHEMBL243237

SCHEMBL243237

CN(C(=O)Oc1ccccc1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
LIPE Q05469 4/20 0.44
POLB P06746 1/20 0.41

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
SCHEMBL1694615 0.84 LMNA (0.42) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL31323064 0.84 NCEH1 (0.48) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL2812688 0.83 L3MBTL1 (0.58) RAB9AKMT2AALDH1A1PKMMEN1
SCHEMBL761922 0.81 ALOX15 (0.45) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL243741 0.79 POLB (0.51) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
Phenyl Dimethylcarbamate SCHEMBL27855930 0.78 RAB9A (0.62) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11804810 0.78 POLB (0.50) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL25081069 0.77 LIPE (0.47) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL16415718 0.77 LMNA (0.47) SMN1; SMN2NPC1KMT2AALDH1A1MEN1
SCHEMBL29659142 0.77 POLB (0.44) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1

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 9 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-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-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
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP 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 (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 2007/4885SMN1; SMN2 2150/4885NPC1 154/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 RAB9A 2007/4885SMN1; SMN2 2150/4885NPC1 154/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 RAB9A 2007/4885SMN1; SMN2 2150/4885NPC1 154/4885

“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.