SCHEMBL1713619

SCHEMBL1713619

CC(C)Cn1c(=O)n2cnnc2c2nc[nH]c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
PDE2A O00408 6/20 0.43
PDE1A P54750 4/20 0.43
PDE1B Q01064 4/20 0.43
PDE1C Q14123 4/20 0.43
CFTR P13569 2/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TSHR P16473 2/20 0.43
PDE5A O76074 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.43
SCN1A P35498 1/20 0.43
PDE6C P51160 1/20 0.43
PDE3B Q13370 1/20 0.43

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
SCHEMBL12782946 0.81 ADORA2A (0.63) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL1713178 0.78 PDE1A (0.34) ADORA2AADORA2BPDE2APDE1APDE1B
Isobutylmethylxanthine SCHEMBL1020643 0.74 PDE2A (0.62) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL12782924 0.68 PDE1A (0.42) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL29015261 0.68 ADORA2A (0.46) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL1713617 0.66 CYP2C19 (0.42) TSHRCYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8486289 0.63 KDM4E (0.41) TSHRHSD17B10
Isobutylmethylxanthine SCHEMBL50315 0.60 PDE4A (1.00) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL239725 0.60 CFTR (1.00) ADORA2AADORA2BPDE2APDE1APDE1B
Isobutylmethylxanthine SCHEMBL28814716 0.60 PDE4A (1.00) ADORA2AADORA2BPDE2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049544-B9 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2011-07-20 EP disclosed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 US disclosed
EP-2049544-B1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2010-11-03 EP disclosed
EP-2049544-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-22 EP disclosed
US-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-04-02 US disclosed
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150026-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 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 (3 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-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885PDE2A 390/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885PDE2A 390/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885PDE2A 390/4885

“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.