SCHEMBL359128

SCHEMBL359128

Cn1cc(C(=O)NCc2ccccn2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
HPGD P15428 3/20 0.62
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK14 Q16539 1/20 0.57
MELK Q14680 1/20 0.55
SLC40A1 Q9NP59 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CA2 P00918 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GLS O94925 1/20 0.53
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL18781799 0.83 SLC40A1 (0.61) LMNAHPGDNPC1POLBRAB9A
Hydrochloric Acid SCHEMBL18764648 0.82 SLC40A1 (0.60) LMNAHPGDNPC1POLBRAB9A
SCHEMBL358956 0.80 NPC1 (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL166484 0.78 LMNA (0.82) LMNAHPGDNPC1POLBRAB9A
SCHEMBL12606939 0.78 MELK (0.62) LMNAHPGDNPC1POLBRAB9A
SCHEMBL18764683 0.77 SLC40A1 (0.57) LMNAHPGDNPC1POLBRAB9A
Hydrochloric Acid SCHEMBL27843329 0.77 LMNA (0.80) LMNAHPGDNPC1POLBRAB9A
SCHEMBL30287914 0.76 RAB9A (0.74) LMNAHPGDNPC1POLBRAB9A
SCHEMBL1393086 0.76 LMNA (1.00) LMNAHPGDNPC1POLBRAB9A
SCHEMBL13102332 0.76 RAB9A (0.74) LMNAHPGDNPC1POLBRAB9A

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 13 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
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 LMNA 3993/4885HPGD 2604/4885NPC1 154/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885HPGD 2604/4885NPC1 154/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885HPGD 2604/4885NPC1 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.