SCHEMBL358049

SCHEMBL358049

CN1CC[C@@H](NC(=O)c2cccc3nsnc23)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.43
CHEK1 O14757 1/20 0.43
KMT2A Q03164 3/20 0.42
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLR1A O95602 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL359806 0.76 HDAC4 (0.48) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL3333337 0.75 NPC1 (0.62) KMT2AL3MBTL1ALDH1A1MEN1SMN1; SMN2
SCHEMBL31188531 0.74 NPC1 (0.56) KMT2AALDH1A1MEN1SMN1; SMN2HTR6
SCHEMBL31188489 0.74 NPC1 (0.56) KMT2AALDH1A1MEN1SMN1; SMN2HTR6
SCHEMBL7067822 0.73 KMT2A (0.46) CHEK1KMT2AMEN1
SCHEMBL358264 0.70 CTSL (0.63) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL10274561 0.70 CTSL (0.63) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL27586118 0.70 HPGD (0.49) KMT2ALMNAL3MBTL1ALDH1A1MEN1
SCHEMBL20069732 0.70 L3MBTL1 (0.57) SSTR1SSTR4L3MBTL1ALDH1A1
SCHEMBL23052040 0.69 ALDH1A1 (0.58) KMT2ALMNAALDH1A1MEN1SMN1; SMN2

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-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US 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
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 PBK 2923/4885CHEK1 2939/4885KMT2A 4190/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 PBK 2923/4885CHEK1 2939/4885KMT2A 4190/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 PBK 2923/4885CHEK1 2939/4885KMT2A 4190/4885

“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.