SCHEMBL2197488

SCHEMBL2197488

CC(C)CCOc1nc(N)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
ADORA2B P29275 7/20 0.56
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
APEX1 P27695 1/20 0.50
PI4KA P42356 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
ADCY1 Q08828 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
YTHDC1 Q96MU7 1/20 0.49
ADORA3 P0DMS8 2/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL11457829 0.89 ADORA2A (0.54) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL2198652 0.88 TP53 (0.52) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL29809280 0.88 ADORA2A (0.55) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL567355 0.88 ADORA2A (0.55) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL31124744 0.86 ADORA2A (0.56) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL460736 0.86 TP53 (0.55) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL2201752 0.86 TP53 (0.50) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL2200805 0.85 ADORA2A (0.59) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL566805 0.85 TP53 (0.54) ADORA2AADORA2BTP53CYP2C9NFKB1
SCHEMBL14415240 0.85 TP53 (0.49) ADORA2AADORA2BTP53CYP2C9NFKB1

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-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 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 (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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885TP53 422/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885TP53 422/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 ADORA2A 54/4885ADORA2B 33/4885TP53 668/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885TP53 422/4885

“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.