SCHEMBL251127

SCHEMBL251127

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)nc3[nH]cnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
QPCT Q16769 4/20 0.43
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MAPT P10636 3/20 0.40
NOS1 P29475 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL13864135 0.83 LMNA (0.44) QPCTMAPTNOS1LMNAALDH1A1
SCHEMBL3108538 0.80 KDR (0.53) EGFRPDGFRBKDR
SCHEMBL3108534 0.79 CCNE2 (0.61) CCNE2CCNE1CDK2MAPTPRUNE1
SCHEMBL34470264 0.79 TSHR (0.42) QPCTMAPTLMNACYP3A4TSHR
SCHEMBL17144480 0.78 SLC2A1 (0.47) QPCTMAPTNOS1LMNAALDH1A1
SCHEMBL17144216 0.75 SLC2A1 (0.44) QPCTMAPTNOS1LMNAALDH1A1
SCHEMBL6450360 0.75 QTRT1 (0.42) QPCTMAPTLMNAALDH1A1MEN1
SCHEMBL14296926 0.74 ADORA3 (0.47) CCNE2CCNE1CDK2MAPTLMNA
SCHEMBL31146869 0.73 QPCT (0.48) QPCTMAPTNOS1LMNAALDH1A1
SCHEMBL30461993 0.73 LMNA (0.44) PIK3CAQPCTMAPTNOS1LMNA

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
EP-2322525-B1 Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2013-09-18 EP 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
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 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
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
EP-2012759-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 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 (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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 PIK3CA 2275/4885QPCT 1917/4885CCNE2 416/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 PIK3CA 1658/4885QPCT 4744/4885CCNE2 1832/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 PIK3CA 2275/4885QPCT 1917/4885CCNE2 416/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 PIK3CA 930/4885QPCT 4795/4885CCNE2 1717/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 PIK3CA 2275/4885QPCT 1917/4885CCNE2 416/4885

“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.