SCHEMBL8043565

SCHEMBL8043565

CCOC(=O)c1cccc(-n2ncc(C(N)=O)c2N)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
ALDH1A1 P00352 4/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
TSHR P16473 2/20 0.63
RAB9A P51151 3/20 0.58
RIPK2 O43353 1/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 1/20 0.53
MAPT P10636 2/20 0.52
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPK14 Q16539 1/20 0.49

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
SCHEMBL31174528 0.86 ALDH1A1 (0.76) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL7823430 0.86 ALDH1A1 (0.76) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL11128807 0.82 HTT (0.80) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL31117178 0.82 HTT (0.80) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL8046909 0.82 KMT2A (0.61) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL8050422 0.81 RIPK2 (0.71) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL31117093 0.81 HTT (1.00) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL10340640 0.81 HTT (0.78) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL10340638 0.81 HTT (1.00) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL18987325 0.80 HTT (0.77) HTTALDH1A1HPGDSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648085-B2 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) 2014-02-11 US disclosed
US-8648085-B2 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) 2014-02-11 US 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-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
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 (1 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 HTT 2307/4885ALDH1A1 127/4885HPGD 2195/4885

“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.