SCHEMBL7876638

SCHEMBL7876638

C[N+]1([O-])CCC(n2ncc(C(N)=O)c2N)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
RIPK2 O43353 1/20 0.38
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 13/20 0.33
JAK1 P23458 13/20 0.33
TYK2 P29597 13/20 0.33
JAK3 P52333 13/20 0.33
PLAT P00750 2/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL17604090 0.84 RIPK2 (0.46) ALOX15RIPK2TSHRLMNARAB9A
SCHEMBL1164192 0.81 RIPK2 (0.44) ALOX15RIPK2TSHRLMNARAB9A
SCHEMBL1717428 0.81 RIPK2 (0.44) ALOX15RIPK2TSHRLMNARAB9A
SCHEMBL2078467 0.80 RIPK2 (0.43) ALOX15RIPK2TSHRLMNARAB9A
SCHEMBL1717672 0.77 RIPK2 (0.41) ALOX15RIPK2TSHRLMNARAB9A
SCHEMBL1717322 0.77 JAK1 (0.41) ALOX15RIPK2TSHRJAK2JAK1
SCHEMBL6346129 0.77 RIPK2 (0.41) ALOX15RIPK2TSHRLMNARAB9A
SCHEMBL626803 0.75 PARP1 (0.40) ALOX15RIPK2TSHRJAK2JAK1
SCHEMBL6341305 0.72 CNR2 (0.51) RIPK2JAK2JAK1TYK2JAK3
SCHEMBL7883835 0.72 TYK2 (0.41) RIPK2TSHRJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300478-B1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
US-9102679-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-11 US disclosed
US-9096603-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-20140350025-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 US disclosed
US-20140073641-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
EP-2414363-B1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 EP disclosed
US-8623901-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-8623879-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivates and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 US disclosed
WO-2010112437-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 WO disclosed
WO-2009121919-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 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-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS PDE9A, PDE7A, PDE1A ALOX15 2009/4885RIPK2 3338/4885TSHR 3516/4885
US-20140350025-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, ATP6V1B2, CNR1 ALOX15 1739/4885RIPK2 4654/4885TSHR 1921/4885
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, CHRM2, CHRM5 ALOX15 1604/4885RIPK2 4516/4885TSHR 1897/4885
US-20140073641-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS PDE9A, PDE7A, PDE1A ALOX15 4152/4885RIPK2 3482/4885TSHR 4524/4885

“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.