SCHEMBL4442001

SCHEMBL4442001

CCCCCNc1[nH]cnc(=O)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.43
GPR84 Q9NQS5 11/20 0.37
ELANE P08246 2/20 0.35
CTSL P07711 1/20 0.34

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 0.78 XDH (0.46) XDHGPR84CTSL
SCHEMBL1713153 0.72 CTSL (0.42) XDHCTSL
SCHEMBL7500956 0.69 XDH (0.46) XDHGPR84
SCHEMBL8840458 0.67 XDH (0.39) XDHGPR84ELANE
SCHEMBL11012125 0.66 TYRO3 (0.38) XDH
SCHEMBL24846526 0.66 GPR84 (0.50) XDHGPR84ELANE
SCHEMBL9669758 0.65 XDH (0.50) XDHGPR84
SCHEMBL9667342 0.64 XDH (0.49) XDHGPR84
SCHEMBL249648 0.61 XDH (0.66) XDHGPR84
SCHEMBL7157723 0.61 UPP1 (0.52) GPR84

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111838-A1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111838-A1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-7488733-B2 6-arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-10 US disclosed
US-7488733-B2 6-arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-10 US disclosed
US-7488733-B2 6-arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-10 US disclosed
EP-1905765-A1 6-arylamino-5-cyano-4-pyrimidinone as PDE9A-inhibitors Boehringer Ingelheim International GmbH (DE) 2008-04-02 EP disclosed
EP-1905765-A1 6-arylamino-5-cyano-4-pyrimidinone as PDE9A-inhibitors Boehringer Ingelheim International GmbH (DE) 2008-04-02 EP disclosed
EP-1905765-A1 6-arylamino-5-cyano-4-pyrimidinone as PDE9A-inhibitors Boehringer Ingelheim International GmbH (DE) 2008-04-02 EP disclosed
EP-1644339-B1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2008-01-23 EP disclosed
EP-1644339-B1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2008-01-23 EP disclosed
US-20070105881-A1 6-Arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BAYER HEALTHCARE AG (DE) 2007-05-10 US disclosed
US-20070105881-A1 6-Arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BAYER HEALTHCARE AG (DE) 2007-05-10 US disclosed
US-20070105881-A1 6-Arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BAYER HEALTHCARE AG (DE) 2007-05-10 US disclosed
CN-1835929-A 6-arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BAYER HEALTHCARE AG (DE) 2006-09-20 CN disclosed
CN-1835929-A 6-arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors BAYER HEALTHCARE AG (DE) 2006-09-20 CN disclosed
EP-1644339-A1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS Bayer HealthCare AG (DE) 2006-04-12 EP disclosed
EP-1644339-A1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS Bayer HealthCare AG (DE) 2006-04-12 EP disclosed
WO-2004113306-A1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS BAYER HEALTHCARE AG (DE) 2004-12-29 WO disclosed
WO-2004113306-A1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS BAYER HEALTHCARE AG (DE) 2004-12-29 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 (2 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-20090111838-A1 6-ARYLAMINO-5-CYANO-4-PYRIMIDINONES AS PDE9A INHIBITORS PDE9A, PDE2A, PDE5A XDH 579/4885GPR84 180/4885ELANE 2592/4885
US-20070105881-A1 6-Arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors PDE9A, PDE2A, PDE5A XDH 579/4885GPR84 180/4885ELANE 2592/4885

“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.