SCHEMBL4442003

SCHEMBL4442003

CCCCCNc1nc[nH]c(=O)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.46
CTSL P07711 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 4/20 0.36
GPR84 Q9NQS5 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
S1PR2 O95136 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35

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
SCHEMBL1713153 0.81 CTSL (0.42) XDHCTSLKDM4EALDH1A1CYP1A2
SCHEMBL9669758 0.80 XDH (0.50) XDHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4442001 0.78 XDH (0.43) XDHCTSLGPR84
SCHEMBL8840458 0.72 XDH (0.39) XDHGPR84MAPT
SCHEMBL9667342 0.70 XDH (0.49) XDHKDM4EALDH1A1KMT2AGAA
SCHEMBL562980 0.69 XDH (0.67) XDHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1083326 0.68 XDH (0.44) XDHKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3431118 0.67 PLA2G2A (0.43) CTSLKDM4EALDH1A1HPGDPOLB
SCHEMBL7127071 0.66 PDPK1 (0.37) KDM4EALDH1A1CYP1A2HPGDPOLB
SCHEMBL24846526 0.66 GPR84 (0.50) 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 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 579/4885CTSL 2314/4885KDM4E 404/4885
US-20070105881-A1 6-Arylamino-5-cyano-4-pyrimidinones as pde9a inhibitors PDE9A, PDE2A, PDE5A XDH 579/4885CTSL 2314/4885KDM4E 404/4885

“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.