SCHEMBL1879040

SCHEMBL1879040

CCCn1c(OC2CCC(O)C2)nc2nc(C3CCCC3)[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 1.00
ADORA3 P0DMS8 2/20 0.58
ADORA2A P29274 3/20 0.57
ADORA2B P29275 3/20 0.57
MEN1 O00255 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL1877425 0.90 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL18083799 0.89 ADORA1 (0.98) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL1868098 0.89 ADORA1 (0.98) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL6920877 0.87 ADORA1 (0.96) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL1867436 0.86 ADORA1 (0.88) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL12079918 0.85 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL12092836 0.85 ADORA1 (0.82) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL1873053 0.84 ADORA1 (0.78) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL1872675 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL12078975 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1

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 13 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
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-8796290-B2 Substituted fused pyrimidine compounds, its preparation and uses thereof ADVINUS THERAPEUTICS LIMITED (IN) 2014-08-05 US 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
US-20120225812-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-06 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.