SCHEMBL627741

SCHEMBL627741

Cc1ccncc1-n1ncc(C(N)=O)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RIPK2 O43353 1/20 0.52
MAPK14 Q16539 5/20 0.51
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
SCN9A Q15858 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL27915744 0.83 SIRT3 (0.47) SIRT3TDP1RIPK2MAPK14RAB9A
SCHEMBL971001 0.82 MAPK14 (0.72) RIPK2MAPK14RAB9ASMN1; SMN2LMNA
SCHEMBL30147284 0.81 SIRT3 (0.50) SIRT3TDP1SMN1; SMN2ALDH1A1POLB
SCHEMBL31341686 0.80 RIPK2 (0.52) SIRT3TDP1RIPK2MAPK14RAB9A
SCHEMBL8029733 0.80 RIPK2 (0.52) RIPK2MAPK14RAB9ASMN1; SMN2LMNA
SCHEMBL1457388 0.80 SIRT3 (0.41) SIRT3TDP1RIPK2MAPK14RAB9A
SCHEMBL8029740 0.80 RIPK2 (0.49) SIRT3TDP1RIPK2MAPK14RAB9A
SCHEMBL8049319 0.78 RIPK2 (0.50) RIPK2MAPK14RAB9ASMN1; SMN2LMNA
SCHEMBL8049323 0.78 SCN9A (0.54) RIPK2MAPK14RAB9ASMN1; SMN2LMNA
SCHEMBL1691837 0.77 MAPK14 (0.58) RIPK2MAPK14RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217602-B1 1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2018-08-29 EP disclosed
EP-2603511-B1 6-CYCLOALKYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-03-15 EP disclosed
EP-3053924-A1 6-CYCLOALKYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-10 EP disclosed
US-9328120-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-03 US disclosed
EP-2675807-B1 6-CYCLOBUTYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-04-22 EP disclosed
US-20150025088-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-8912201-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 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-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 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-20110065730-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES HENDRIX MARTIN 2011-03-17 US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 WO disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 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
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 (4 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-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C SIRT3 2837/4885TDP1 29/4885RIPK2 4088/4885
US-20110065730-A1 6-CYCLYLMETHYL-AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLEPYRIMIDINES GRM6, P2RX6, P2RY6 SIRT3 767/4885TDP1 1971/4885RIPK2 1263/4885
US-20070105876-A1 6-Cyclylmethyl- and 6-alkylmethyl-substituted pyrazolepyrimidines GRM6, P2RX6, P2RY6 SIRT3 767/4885TDP1 1971/4885RIPK2 1263/4885
US-20150025088-A1 6-CYCLOALKYL-PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE2A SIRT3 3437/4885TDP1 139/4885RIPK2 4692/4885

“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.