SCHEMBL239665

SCHEMBL239665

COC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.36
ADORA3 P0DMS8 6/20 0.36
ADORA1 P30542 4/20 0.36
ADORA2B P29275 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
MMP2 P08253 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
Hydrochloric Acid SCHEMBL4434830 0.99 ADORA2A (0.36) ADORA2AADORA3ADORA1ADORA2BALDH1A1
Hydrochloric Acid SCHEMBL242731 0.99 ADORA2A (0.36) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL4380432 0.91 SMN1; SMN2 (0.45) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL6322513 0.89 ADORA2A (0.36) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL8653843 0.85 SMN1; SMN2 (0.49) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL27532522 0.82 ADORA2A (0.35) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL27532524 0.80 ADORA3 (0.35) ADORA2AADORA3ADORA1ADORA2BSLC2A1
Hydrochloric Acid SCHEMBL27694799 0.79 ADORA3 (0.35) ADORA2AADORA3ADORA1ADORA2BSLC2A1
SCHEMBL589216 0.78 ADORA3 (0.40) ADORA2AADORA3ADORA1ALDH1A1TSHR
SCHEMBL1412351 0.77 KDM4E (0.40) MAPTKDM4EMAPK1

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 44 patents — showing the first 20. 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
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
CN-101472925-B As adenosine A2APurine derivatives of receptor agonists NOVARTIS AG 2012-06-13 CN 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-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
US-6624158-B2 Compound for use in the treatment of; sepsis, urogential, psychological, nervous system, respiratory, inflammatory, skin vascular and arthritic; wound healing agents PFIZER INC 2003-09-23 US disclosed
EP-1317465-A1 PURINE DERIVATIVES PFIZER INC. (US) 2003-06-11 EP disclosed
US-6525032-B2 Agonists of human adenosine receptors useful as anti-inflammatory agents in treatment of diseases of respiratory tract; chemical intermediates PFIZER INC 2003-02-25 US disclosed
US-20020072597-A1 Purine derivatives PFIZER INC. 2002-06-13 US disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
WO-2002022630-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-03-21 WO disclosed
EP-1185542-A2 PURINE DERIVATIVES Pfizer Limited (GB) 2002-03-13 EP disclosed
US-20010020089-A1 Purine derivatives PFIZER INC. 2001-09-06 US disclosed
WO-2000077018-A2 PURINE DERIVATIVES PFIZER LIMITED (GB) 2000-12-21 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 (6 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-20010020089-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADORA2A 10/4885ADORA3 23/4885ADORA1 25/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ADORA2A 9/4885ADORA3 21/4885ADORA1 17/4885
US-20020072597-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885

“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.