SCHEMBL1713153

SCHEMBL1713153

CCCCCNc1nc[nH]c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
XDH P47989 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR2 O95136 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
HTT P42858 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4442003 0.81 XDH (0.46) CTSLXDHCYP1A2CYP3A4CYP2D6
SCHEMBL6996532 0.75 XDH (0.64) XDHLMNASMN1; SMN2POLBALDH1A1
SCHEMBL6996417 0.74 XDH (0.62) XDHLMNASMN1; SMN2POLBALDH1A1
SCHEMBL6999626 0.74 XDH (0.62) XDHLMNASMN1; SMN2POLBALDH1A1
SCHEMBL7001027 0.74 XDH (0.62) XDHLMNASMN1; SMN2POLBALDH1A1
SCHEMBL9669758 0.73 XDH (0.50) XDHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10821714 0.73 XDH (0.58) XDHLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL4442001 0.72 XDH (0.43) CTSLXDH
SCHEMBL8469368 0.71 UTS2R (0.44) XDHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL562980 0.71 XDH (0.67) XDHCYP1A2CYP3A4CYP2D6CYP2C19

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 22 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 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-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 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-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 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 CTSL 4074/4885XDH 948/4885CYP1A2 788/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A CTSL 4074/4885XDH 948/4885CYP1A2 788/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A CTSL 4074/4885XDH 948/4885CYP1A2 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.