SCHEMBL8310062

SCHEMBL8310062

CCc1cccc(C)c1-n1ncc2c(=O)[nH]c(CC3CCCC3)nc21

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 17/20 0.74
PDE1C Q14123 3/20 0.57
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 1/20 0.41
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
SCHEMBL14533684 0.93 PDE9A (0.72) PDE9APDE1CADORA2AADORA2BADORA1
SCHEMBL1457419 0.93 PDE9A (0.81) PDE9APDE1CADORA2AADORA2BADORA1
SCHEMBL12250359 0.88 PDE9A (0.74) PDE9APDE1CADORA2AADORA2BADORA1
SCHEMBL8303028 0.88 PDE9A (0.74) PDE9APDE1CTYK2
SCHEMBL8303025 0.86 PDE9A (0.71) PDE9APDE1C
SCHEMBL1457431 0.85 PDE9A (1.00) PDE9APDE1CADORA2AADORA2BADORA1
SCHEMBL1456804 0.85 PDE9A (1.00) PDE9APDE1CTYK2
SCHEMBL8303026 0.84 PDE9A (0.65) PDE9APDE1CADORA2AADORA2BADORA1
SCHEMBL1456763 0.84 PDE9A (0.98) PDE9APDE1C
SCHEMBL1456761 0.82 PDE9A (0.71) PDE9APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120010224-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES HENDRIX MARTIN (DE) 2012-01-12 US disclosed
US-20120010224-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES HENDRIX MARTIN (DE) 2012-01-12 US disclosed
US-8044060-B2 6-cyclylmethyl- and 6-alkylmethyl pyrazolo[3,4-D]pyrimidines, methods for their preparation and methods for their use to treat impairments of perception, concentration learning and/or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-25 US disclosed
US-8044060-B2 6-cyclylmethyl- and 6-alkylmethyl pyrazolo[3,4-D]pyrimidines, methods for their preparation and methods for their use to treat impairments of perception, concentration learning and/or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-25 US 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-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
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 464/4885ADORA2A 268/4885
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines GRM6, P2RX6, P2RY6 PDE9A 384/4885PDE1C 464/4885ADORA2A 268/4885
US-20120010224-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES GRM6, P2RX6, P2RY6 PDE9A 384/4885PDE1C 464/4885ADORA2A 268/4885

“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.