SCHEMBL6920308

SCHEMBL6920308

CCCn1c(=O)[nH]c2nc(C3CC=CC3)[nH]c2c1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.75
ADORA2A P29274 5/20 0.54
ADORA3 P0DMS8 4/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ADORA1 P30542 4/20 0.51
MEN1 O00255 2/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL5935693 0.86 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1MEN1
SCHEMBL8836134 0.81 ADORA1 (0.78) ADORA2BADORA2AADORA3ADORA1MEN1
SCHEMBL12079618 0.78 ADORA1 (0.52) ADORA2BADORA2AADORA3ADORA1MEN1
SCHEMBL27302135 0.75 ADORA2B (0.60) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL27206789 0.74 ADORA2B (0.59) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL2958489 0.72 ADORA2B (0.58) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL9904030 0.70 ADORA2B (0.55) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL29494961 0.70 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1MEN1
SCHEMBL12080148 0.68 ADORA2A (0.47) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL1893989 0.68 ADORA1 (0.83) ADORA2BADORA2AADORA3ADORA1

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 6 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 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
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 ADORA2B 12/4885ADORA2A 2/4885ADORA3 4/4885

“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.