SCHEMBL1712679

SCHEMBL1712679

CCCCCn1c(=O)n2nc(-c3ccncc3)nc2c2[nH]c(Br)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.41
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.41
PIM1 P11309 2/20 0.41
GSK3B P49841 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
GSK3A P49840 1/20 0.39
NEK4 P51957 1/20 0.39
MAPK12 P53778 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
PKN2 Q16513 1/20 0.39
PIM3 Q86V86 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
DYRK4 Q9NR20 1/20 0.39
ADORA3 P0DMS8 5/20 0.38

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
SCHEMBL1712814 0.91 ADORA3 (0.46) ADORA3ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL1713158 0.88 ADORA2A (0.48) PIM1GSK3ADYRK1APIM3ADORA3
SCHEMBL1713144 0.86 ADORA2B (0.36) ADORA3ADORA2AADORA2B
SCHEMBL1713020 0.85 ADORA2A (0.47) ADORA3ADORA2AADORA2B
SCHEMBL1713177 0.84 ADORA2B (0.49) ADORA3ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL1713057 0.80 ADORA2B (0.40) ADORA3ADORA2AADORA2B
SCHEMBL2077334 0.79 ADORA2B (0.44) ADORA3ADORA2AADORA2B
SCHEMBL1713173 0.76 ADORA2A (0.46) ADORA3ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL1712833 0.76 ADORA2A (0.40) ADORA3ADORA2AADORA2B
SCHEMBL1713342 0.76 ADORA2B (0.37) ADORA2B

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 34 patents — showing the first 20. 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
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 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
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-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 US disclosed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 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
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 CDC7 2915/4885ROCK2 4323/4885MAP4K4 1453/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A CDC7 2915/4885ROCK2 4323/4885MAP4K4 1453/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A CDC7 2915/4885ROCK2 4323/4885MAP4K4 1453/4885

“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.