SCHEMBL1713110

SCHEMBL1713110

CCCCCn1c(=O)[nH]c(=NN)c2[nH]c(C(F)(F)F)nc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TLR7 Q9NYK1 12/20 0.39
PDE4A P27815 1/20 0.38
ADORA2A P29274 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TLR8 Q9NR97 2/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
PNP P00491 1/20 0.37

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
SCHEMBL1713109 1.00 KDM4E (0.40) KDM4EALDH1A1TLR7PDE4AADORA2A
SCHEMBL12462090 1.00 KDM4E (0.40) KDM4EALDH1A1TLR7PDE4AADORA2A
SCHEMBL1713221 0.85 ADORA2A (0.50) KDM4EALDH1A1PDE4AADORA2APDE4B
SCHEMBL1712689 0.83 ALDH1A1 (0.42) KDM4EALDH1A1TLR7PDE4AADORA2A
SCHEMBL562483 0.82 PNP (0.39) KDM4EALDH1A1PDE4AADORA2APDE4B
SCHEMBL562482 0.82 PNP (0.39) KDM4EALDH1A1PDE4AADORA2APDE4B
SCHEMBL14000281 0.79 CHRNB2 (0.41) ALDH1A1TLR7
SCHEMBL4248302 0.77 PDE2A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL561531 0.76 MAPK10 (0.42) KDM4EALDH1A1PDE4AADORA2APDE4B
SCHEMBL4250791 0.75 SIRT1 (0.51) ADORA2A

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 10 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-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 KDM4E 3782/4885ALDH1A1 641/4885TLR7 242/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A KDM4E 3782/4885ALDH1A1 641/4885TLR7 242/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A KDM4E 3782/4885ALDH1A1 641/4885TLR7 242/4885

“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.