SCHEMBL8306675

SCHEMBL8306675

O=c1[nH]c(CC2CCCC2)nc2c1cnn2-c1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 9/20 0.73
PDE1C Q14123 1/20 0.56
DAPK3 O43293 2/20 0.55
PIM1 P11309 2/20 0.55
PIM3 Q86V86 2/20 0.55
PIM2 Q9P1W9 2/20 0.55
DAPK1 P53355 1/20 0.52
DAPK2 Q9UIK4 1/20 0.52
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10116343 0.89 PDE9A (0.69) PDE9APDE1CMAPTLMNATP53
SCHEMBL12436897 0.89 PDE9A (0.63) PDE9APDE1CDAPK3PIM1PIM3
SCHEMBL12824707 0.89 PDE9A (0.63) PDE9APDE1CMAPTLMNAALDH1A1
SCHEMBL1456832 0.89 PDE9A (0.63) PDE9APDE1CDAPK3PIM1PIM3
SCHEMBL8307144 0.88 PDE9A (0.73) PDE9APDE1CDAPK3PIM1PIM3
SCHEMBL12250672 0.87 PDE9A (0.61) PDE9APDE1CDAPK3PIM1PIM3
SCHEMBL8306354 0.87 PDE9A (0.64) PDE9APDE1CMAPTLMNAALDH1A1
SCHEMBL8311055 0.86 PDE9A (0.60) PDE9APDE1CMAPTLMNAALDH1A1
SCHEMBL1456761 0.86 PDE9A (0.71) PDE9APDE1CMAPTLMNAALDH1A1
SCHEMBL10116371 0.85 PDE9A (0.69) PDE9APDE1CMAPTLMNAALDH1A1

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 15 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
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
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 464/4885DAPK3 1009/4885
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines GRM6, P2RX6, P2RY6 PDE9A 384/4885PDE1C 464/4885DAPK3 1009/4885
US-20120010224-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES GRM6, P2RX6, P2RY6 PDE9A 384/4885PDE1C 464/4885DAPK3 1009/4885

“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.