SCHEMBL241618

SCHEMBL241618

CCOC(=O)O[C@@H]1C=C[C@H](n2cnc3c(Cl)nc(Cl)nc32)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2C P28335 5/20 0.41
HTR2B P41595 5/20 0.41
ADCY5 O95622 6/20 0.40
ADORA3 P0DMS8 5/20 0.38
ADORA1 P30542 4/20 0.38
TMIGD3 P0DMS9 1/20 0.38
ADORA2A P29274 1/20 0.38
TSPO P30536 1/20 0.38
CHRM3 P20309 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ABCB1 P08183 2/20 0.36
HRH2 P25021 1/20 0.35
HTR5A P47898 1/20 0.35

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
SCHEMBL1908715 0.92 HTR2C (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL14018046 0.91 HTR2C (0.40) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL30827039 0.86 LMNA (0.52) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL588937 0.81 ADORA3 (0.53) ADORA3ADORA1ADORA2A
SCHEMBL9692356 0.81 ABCB1 (0.48) ADCY5ABCB1
SCHEMBL242510 0.80 ADORA1 (0.42) HTR2CHTR2BADORA3ADORA1TMIGD3
SCHEMBL1401993 0.80 ADORA1 (0.42) HTR2CHTR2BADORA3ADORA1TMIGD3
SCHEMBL12060833 0.80 LMNA (0.39) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL12050236 0.78 LMNA (0.40) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL27087639 0.77 LMNA (0.56) LMNATP53ALDH1A1MAPTTDP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 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-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP 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-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 LMNA 2569/4885TP53 3227/4885ALDH1A1 333/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885

“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.