SCHEMBL244277

SCHEMBL244277

COc1ccc(C(Nc2nc(Cl)nc3c2ncn3[C@@H]2C[C@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@](O)(N(c3nc(Cl)nc4c3ncn4[C@H]3C=C[C@@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3)C(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@H]2O)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.32
HTR2B P41595 2/20 0.32
TMIGD3 P0DMS9 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR2C P28335 1/20 0.32
ADORA3 P0DMS8 4/20 0.31
ADORA2A P29274 3/20 0.31
NT5E P21589 1/20 0.30

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
SCHEMBL293429 1.00 ADORA1 (0.32) ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL242801 0.87 ADORA1 (0.37) ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL1401997 0.77 ADORA1 (0.41) ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL243701 0.77 ADORA1 (0.41) ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL240045 0.72 ADORA3 (0.46) ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL4220375 0.72 ADORA3 (0.46) ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL241801 0.71 ADORA3 (0.52) ADORA1ADORA3ADORA2ANT5E
SCHEMBL239530 0.69 LMNA (0.39) ADORA1HTR2BTMIGD3HTR2CADORA3
SCHEMBL1412358 0.69 ADORA1 (0.52) ADORA1ADORA3ADORA2ANT5E
SCHEMBL1401972 0.69 ADORA1 (0.49) ADORA1HTR2BTMIGD3CYP2C9HTR2C

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 8 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
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
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-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 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 (4 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 ADORA1 1271/4885HTR2B 980/4885TMIGD3 4787/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA1 2/4885HTR2B 399/4885TMIGD3 2995/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA1 1271/4885HTR2B 980/4885TMIGD3 4787/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA1 1271/4885HTR2B 980/4885TMIGD3 4787/4885

“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.