SCHEMBL1874034

SCHEMBL1874034

CCCn1c(Cc2ccccc2)nc2nc(C34CC5CC(CC(CNc6nccs6)(C5)C3)C4)[nH]c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.38
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
SLC6A3 Q01959 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
SLC22A11 Q9NSA0 1/20 0.32
CYP3A4 P08684 1/20 0.32
SCN5A Q14524 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SRC P12931 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL1867838 0.82 ADORA1 (0.37) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL1867378 0.75 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1864553 0.70 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL1873787 0.68 ADORA1 (0.38) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL1868445 0.67 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL1875068 0.67 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL1867804 0.66 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL1872282 0.65 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BCYP3A4
SCHEMBL12080142 0.65 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL1870043 0.65 ADORA1 (0.38) ADORA1ADORA3ADORA2AADORA2BSLC6A3

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
EP-2499142-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF Advinus Therapeutics Limited (IN) 2012-09-19 EP claimed
US-20120225812-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-06 US claimed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO 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
US-20120225812-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-06 US 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 4/4885ADORA2A 2/4885

“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.