SCHEMBL1870335

SCHEMBL1870335

CCCn1c(NCc2ccc(F)cc2)nc2nc(C3CCCC3)[nH]c2c1=O

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.84
ADORA2B P29275 4/20 0.53
ADORA2A P29274 2/20 0.53
ADORA3 P0DMS8 2/20 0.52
MEN1 O00255 1/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL12080351 0.99 ADORA1 (0.82) ADORA1ADORA2BADORA2AADORA3MEN1
SCHEMBL1869039 0.91 ADORA1 (1.00) ADORA1ADORA2BADORA2AADORA3MEN1
SCHEMBL18059615 0.90 ADORA1 (0.84) ADORA1ADORA2BADORA2AADORA3MEN1
SCHEMBL12079015 0.90 ADORA1 (1.00) ADORA1ADORA2BADORA2AADORA3MEN1
SCHEMBL1905912 0.88 ADORA1 (0.69) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1868527 0.88 ADORA1 (0.80) ADORA1ADORA2BADORA2AADORA3MEN1
SCHEMBL6921191 0.87 ADORA1 (0.80) ADORA1ADORA2BADORA2AADORA3MEN1
SCHEMBL12092842 0.87 ADORA1 (0.78) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1866510 0.87 ADORA1 (0.72) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12089685 0.86 ADORA1 (0.77) ADORA1ADORA2BADORA2AADORA3

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 15 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
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
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
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 1/4885ADORA2B 12/4885ADORA2A 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.