SCHEMBL1713178

SCHEMBL1713178

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 5/20 0.34
PDE1B Q01064 5/20 0.34
PDE1C Q14123 5/20 0.34
PDE2A O00408 4/20 0.34
ADORA2A P29274 5/20 0.33
ADORA2B P29275 5/20 0.33
ADORA1 P30542 5/20 0.32
ADORA3 P0DMS8 2/20 0.32
PDE5A O76074 3/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
CFTR P13569 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
PDE4A P27815 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN1A P35498 1/20 0.32
PDE6C P51160 1/20 0.32

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
SCHEMBL12782924 0.81 PDE1A (0.42) PDE1APDE1BPDE1CPDE2AADORA2A
SCHEMBL1712743 0.79
SCHEMBL1712799 0.78 CSNK2A1 (0.36)
SCHEMBL1713619 0.78 ADORA2A (0.45) PDE1APDE1BPDE1CPDE2AADORA2A
SCHEMBL1713276 0.72 ADORA2B (0.41) PDE1APDE1BPDE1CPDE2AADORA2A
SCHEMBL12782946 0.68 ADORA2A (0.63) PDE1APDE1BPDE1CPDE2AADORA2A
SCHEMBL1713503 0.66 ADORA2B (0.41) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL12782952 0.63 CSNK2A1 (0.36) ADORA2BTSHRPDE4AMAPK1PDE4B
SCHEMBL12782956 0.63 ADORA2B (0.33) ADORA2AADORA2BADORA1ADORA3
SCHEMBL1713617 0.62 CYP2C19 (0.42) CYP1A2TSHRMAPK1MEN1CYP2C19

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 18 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 claimed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 US claimed
EP-2049544-B1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2010-11-03 EP claimed
EP-2049544-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-22 EP claimed
US-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-04-02 US claimed
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 US claimed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US claimed
WO-2007150026-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO claimed
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-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 PDE1A 339/4885PDE1B 843/4885PDE1C 507/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A PDE1A 339/4885PDE1B 843/4885PDE1C 507/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A PDE1A 339/4885PDE1B 843/4885PDE1C 507/4885

“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.