SCHEMBL1898798

SCHEMBL1898798

CCCn1c(OCc2cccc(C(=O)OCC)c2)nc2nc(C34CC5CC(C3)C(C5)C4)[nH]c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.42
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 4/20 0.38
ADORA2A P29274 2/20 0.38
SLC6A3 Q01959 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
SLC22A11 Q9NSA0 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
SCHEMBL1869697 0.90 ADORA1 (0.49) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1866491 0.81 ADORA1 (0.53) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1897578 0.80 ADORA1 (0.52) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1873276 0.75 ADORA1 (0.50) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1897580 0.74 ADORA1 (0.49) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL18059634 0.74 ADORA1 (0.49) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL12092923 0.73 ADORA1 (0.50) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL12089679 0.72 ADORA1 (0.52) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1868384 0.72 ADORA1 (0.51) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL12081237 0.70 ADORA1 (0.53) ADORA1ADORA3ADORA2BADORA2A

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
EP-2499142-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS LTD (IN) 2016-09-21 EP claimed
US-8796290-B2 Substituted fused pyrimidine compounds, its preparation and uses thereof ADVINUS THERAPEUTICS LIMITED (IN) 2014-08-05 US claimed
US-20120225812-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-06 US claimed
EP-2499142-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS LTD (IN) 2016-09-21 EP disclosed
US-8796290-B2 Substituted fused pyrimidine compounds, its preparation and uses thereof ADVINUS THERAPEUTICS LIMITED (IN) 2014-08-05 US disclosed
EP-2499142-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF Advinus Therapeutics Limited (IN) 2012-09-19 EP disclosed
US-20120225812-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-06 US disclosed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 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 (1 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-20120225812-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADORA1, ADORA2A, P2RY1 ADORA1 1/4885ADORA3 4/4885ADORA2B 12/4885

“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.