SCHEMBL563546

SCHEMBL563546

CCCCCn1c2nc[nH]c2c(=O)n2c(CN(Cc3ccccc3)C(=O)O)nnc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.47
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 8/20 0.43
PDE4A P27815 7/20 0.43
PDE4B Q07343 7/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL562063 0.92 ADORA2B (0.46) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL16312179 0.81 ADORA2B (0.45) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL10182806 0.80 ADORA2B (0.46) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL562726 0.80 TP53 (0.50) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL562019 0.80 ADORA2B (0.54) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL3913271 0.79 ADORA2B (0.53) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL10184888 0.79 ADORA2B (0.45) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL10184866 0.79 ADORA2B (0.59) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL562813 0.78 ADORA2B (0.56) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL3911706 0.78 ADORA2B (0.51) ADORA2BADORA2APDE4APDE4BPDE4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 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 (2 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-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ADORA2B 68/4885ADORA3 49/4885ADORA2A 12/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2B 68/4885ADORA3 49/4885ADORA2A 12/4885

“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.