SCHEMBL359301

SCHEMBL359301

CNCCNC(=O)NC1CCN(c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.52
DRD2 P14416 2/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD3 P35462 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
ADORA2A P29274 1/20 0.45
SMO Q99835 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL1908712 0.91 ALDH1A1 (0.53) ALDH1A1LMNADRD2CA12CA1
SCHEMBL4371640 0.89 ALDH1A1 (0.54) ALDH1A1LMNADRD2CA12CA1
SCHEMBL4233864 0.87 ALDH1A1 (0.54) ALDH1A1LMNADRD2CA12CA1
SCHEMBL3156635 0.87 ALDH1A1 (0.54) ALDH1A1LMNADRD2CA12CA1
SCHEMBL1908728 0.86 ALDH1A1 (0.51) ALDH1A1LMNADRD2CA12CA1
Hydrochloric Acid SCHEMBL2891561 0.86 ALDH1A1 (0.53) ALDH1A1LMNADRD2CA12CA1
SCHEMBL13449930 0.85 LMNA (0.57) ALDH1A1LMNADRD2CA12CA1
SCHEMBL1912307 0.85 LMNA (0.52) ALDH1A1LMNADRD2CA12CA1
SCHEMBL4377986 0.85 GPR119 (0.55) ALDH1A1LMNADRD2CA12CA1
SCHEMBL1908761 0.84 CA12 (0.57) ALDH1A1LMNADRD2CA12CA1

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 18 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-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 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
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
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (5 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 478/4885LMNA 4096/4885DRD2 216/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885LMNA 3993/4885DRD2 651/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885LMNA 3993/4885DRD2 651/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ALDH1A1 201/4885LMNA 3576/4885DRD2 474/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885LMNA 3993/4885DRD2 651/4885

“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.