SCHEMBL7003216

SCHEMBL7003216

O=c1c2cn(CC3CCCO3)nc2ncn1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
RAB9A P51151 2/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
MDM2 Q00987 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL7078423 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL7000340 0.74 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL7004474 0.68 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL29465638 0.64 POLB (0.58) KDM4EALDH1A1TSHRTDP1HPGD
SCHEMBL7081940 0.64 LMNA (0.56) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL7004068 0.64 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL23420939 0.64 P2RX4 (0.55) MEN1KMT2ARAB9AESR1MAPT
SCHEMBL29810397 0.64 P2RX4 (0.55) MEN1KMT2ARAB9AESR1MAPT
SCHEMBL7077563 0.63 TSHR (0.56) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL7081977 0.62 LMNA (0.45) KDM4EMEN1KMT2ATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 US claimed
EP-1311510-A1 2,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2003-05-21 EP claimed
WO-2002018387-A1 2,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ELBION AG (DE) 2002-03-07 WO claimed
US-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 US disclosed
EP-1311510-A1 2,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2003-05-21 EP disclosed
WO-2002018387-A1 2,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ELBION AG (DE) 2002-03-07 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-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same DDO, GRIN3A, GRIK4 KDM4E 1874/4885ALDH1A1 568/4885MEN1 2351/4885

“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.