SCHEMBL1723697

SCHEMBL1723697

CCCn1c(=O)[nH]c(N)c(NC(=O)c2cnn(Cc3ccccc3)c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.52
ADORA1 P30542 7/20 0.52
ADORA3 P0DMS8 5/20 0.52
ADORA2A P29274 6/20 0.47
KLKB1 P03952 7/20 0.46
ALDH1A1 P00352 1/20 0.44
SCD5 Q86SK9 1/20 0.44
RIPK1 Q13546 1/20 0.43
RPS6KA3 P51812 3/20 0.42
RPS6KA2 Q15349 2/20 0.42
RPS6KA1 Q15418 2/20 0.42
RPS6KA6 Q9UK32 2/20 0.42

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
SCHEMBL8979404 0.90 ADORA2B (0.49) ADORA2BADORA1ADORA3ADORA2AKLKB1
SCHEMBL1546641 0.89 ADORA2B (0.56) ADORA2BADORA1ADORA3ADORA2AKLKB1
SCHEMBL30495481 0.87 ADORA2B (0.58) ADORA2BADORA1ADORA3ADORA2ASCD5
SCHEMBL796431 0.87 ADORA2B (0.58) ADORA2BADORA1ADORA3ADORA2ASCD5
SCHEMBL1546781 0.87 KLKB1 (0.52) ADORA2BADORA1ADORA3ADORA2AKLKB1
SCHEMBL1546784 0.85 ADORA2B (0.41) ADORA2BADORA1ADORA3ADORA2AKLKB1
SCHEMBL5541331 0.84 ADORA2B (0.45) ADORA2BADORA1ADORA3ADORA2AKLKB1
SCHEMBL5584758 0.84 ROCK1 (0.39) ADORA2BADORA3ADORA2AALDH1A1
SCHEMBL1546131 0.78 ADORA2B (0.57) ADORA2BADORA1ADORA3ADORA2AKLKB1
SCHEMBL1724767 0.77 KMT2A (0.44) ALDH1A1

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-9284316-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2016-03-15 US disclosed
US-9284316-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2016-03-15 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
EP-2405917-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2014-04-23 EP disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 US disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 US disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 US disclosed
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 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 (2 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-20120115864-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA2B 4/4885ADORA1 2/4885ADORA3 3/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA2B 4/4885ADORA1 2/4885ADORA3 3/4885

“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.