SCHEMBL1456367

SCHEMBL1456367

Cc1ccncc1-n1ncc2c(=O)[nH]c(CC3CCCC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 18/20 1.00
PDE1C Q14123 2/20 0.55
TYK2 P29597 1/20 0.41

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
SCHEMBL1457409 0.99 PDE9A (0.98) PDE9APDE1CTYK2
SCHEMBL1456804 0.88 PDE9A (1.00) PDE9APDE1CTYK2
SCHEMBL1456763 0.87 PDE9A (0.98) PDE9APDE1C
SCHEMBL18791284 0.86 PDE9A (0.78) PDE9APDE1CTYK2
SCHEMBL10116335 0.84 PDE9A (0.82) PDE9APDE1C
SCHEMBL1457431 0.84 PDE9A (1.00) PDE9APDE1CTYK2
SCHEMBL1457419 0.83 PDE9A (0.81) PDE9APDE1CTYK2
SCHEMBL1457188 0.82 PDE9A (0.72) PDE9APDE1CTYK2
SCHEMBL10116375 0.82 PDE9A (0.79) PDE9APDE1C
SCHEMBL1457408 0.81 PDE9A (0.70) PDE9APDE1CTYK2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070293-A1 PHOSPHODIESTERASE 9 INHIBITOR AND LEVODOPA THERAPY IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8642605-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-8642605-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-8642605-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
EP-2298773-B1 6-Cyclomethyl and 6-alkylmethyl substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-06-19 EP disclosed
EP-2298773-B1 6-Cyclomethyl and 6-alkylmethyl substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-06-19 EP disclosed
US-20120010224-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES HENDRIX MARTIN (DE) 2012-01-12 US disclosed
EP-2298773-A1 6-Cyclomethyl and 6-alkylmethyl substituted pyrazolopyrimidines Boehringer Ingelheim International GmbH (DE) 2011-03-23 EP disclosed
EP-2298773-A1 6-Cyclomethyl and 6-alkylmethyl substituted pyrazolopyrimidines Boehringer Ingelheim International GmbH (DE) 2011-03-23 EP disclosed
US-20110065730-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES HENDRIX MARTIN 2011-03-17 US disclosed
US-20110065730-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES HENDRIX MARTIN 2011-03-17 US disclosed
US-20110065730-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES HENDRIX MARTIN 2011-03-17 US disclosed
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
EP-1626971-A1 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2006-02-22 EP disclosed
WO-2004099211-A1 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 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-20110065730-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES GRM6, P2RX6, P2RY6 PDE9A 384/4885PDE1C 464/4885TYK2 3240/4885
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines GRM6, P2RX6, P2RY6 PDE9A 384/4885PDE1C 464/4885TYK2 3240/4885
US-20120010224-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES GRM6, P2RX6, P2RY6 PDE9A 384/4885PDE1C 464/4885TYK2 3240/4885

“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.