SCHEMBL1879340

SCHEMBL1879340

O=C(O)CCn1c(Oc2ccccc2)nc2nc(C34CC5CC(CC(C5)C3)C4)[nH]c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.42
ADORA3 P0DMS8 4/20 0.41
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ADORA2B P29275 5/20 0.35
ADORA2A P29274 4/20 0.35
SLC6A3 Q01959 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
HPGD P15428 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
SCHEMBL1870343 0.91 ADORA1 (0.46) ADORA1ADORA3HDAC6ADORA2BADORA2A
SCHEMBL1870344 0.83 ADORA1 (0.39) ADORA1ADORA3KDM4EALDH1A1ADORA2B
SCHEMBL12089679 0.83 ADORA1 (0.52) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1874864 0.80 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1867558 0.79 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL12079432 0.78 ADORA1 (0.49) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1866604 0.77 ADORA1 (0.65) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1864553 0.77 ADORA1 (0.55) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1866029 0.76 ADORA1 (0.57) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1871540 0.76 ADORA1 (0.52) ADORA1ADORA3ADORA2BADORA2ASLC6A3

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 4/4885HDAC6 3079/4885

“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.