SCHEMBL1713558

SCHEMBL1713558

CCCCNc1nc[nH]c1C(=N)SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
XDH P47989 7/20 0.39
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
KCNH2 Q12809 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
SLC29A1 Q99808 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
DCLK1 O15075 1/20 0.33

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
SCHEMBL1713207 0.96 CYP1A2 (0.43) CYP3A4CYP2D6CYP1A2CYP2C19XDH
SCHEMBL12782650 0.77 SMN1; SMN2 (0.34) XDHMAPTTDP1KDM4EL3MBTL1
SCHEMBL1713191 0.72 XDH (0.49) CYP3A4CYP2D6CYP1A2CYP2C19XDH
SCHEMBL562980 0.72 XDH (0.67) CYP3A4CYP2D6CYP1A2CYP2C19XDH
SCHEMBL3341689 0.69 KDM4E (0.52) XDHLMNAHSD17B10KDM4EL3MBTL1
SCHEMBL9669758 0.66 XDH (0.50) CYP3A4CYP2D6CYP1A2CYP2C19XDH
SCHEMBL796516 0.64 HTT (0.49) CYP3A4CYP2D6CYP1A2CYP2C19XDH
SCHEMBL1713153 0.64 CTSL (0.42) CYP3A4CYP2D6CYP1A2CYP2C19XDH
SCHEMBL796517 0.63 HTT (0.82) CYP3A4CYP2D6CYP1A2CYP2C19LMNA
SCHEMBL11981758 0.63 TSHR (0.46) XDHLMNAHTTKDM4EL3MBTL1

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 CYP3A4 1580/4885CYP2D6 1388/4885CYP1A2 788/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A CYP3A4 1580/4885CYP2D6 1388/4885CYP1A2 788/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A CYP3A4 1580/4885CYP2D6 1388/4885CYP1A2 788/4885

“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.