SCHEMBL970987

SCHEMBL970987

CCOc1cc(Cl)c(N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CD44 P16070 1/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL12759053 0.92 NPC1 (0.47) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL11652171 0.84 ALDH1A1 (0.50) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL653555 0.82 ALDH1A1 (0.48) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL11652672 0.80 MAPT (0.52) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL25658779 0.80 NPC1 (0.61) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL8002412 0.78 CSNK2A1 (0.46) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL4388470 0.78 NPC1 (0.63) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL21616261 0.78 ALDH1A1 (0.48) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL21757417 0.78 MAPT (0.56) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL14094923 0.78 KDM4E (0.50) MAPTKDM4EALDH1A1L3MBTL1GAA

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 3 patents. 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
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

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 MAPT 3117/4885KDM4E 1108/4885ALDH1A1 127/4885

“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.