SCHEMBL7003741

SCHEMBL7003741

O=c1c2c[nH]nc2ncn1Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 1/20 0.49
GRK2 P25098 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CNOT7 Q9UIV1 1/20 0.45
MAPK1 P28482 1/20 0.44
GRK1 Q15835 2/20 0.40
GRK5 P34947 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TP53 P04637 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MMP13 P45452 1/20 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
SCHEMBL7002674 0.87 GRK2 (0.52) KDM4EGRK2RXFP1L3MBTL1HPGD
SCHEMBL7003110 0.86 TP53 (0.53) HPGDMAPK1TP53
SCHEMBL7004560 0.85 SMN1; SMN2 (0.52) KDM4EGRK2L3MBTL1ALDH1A1HPGD
SCHEMBL7004569 0.84 KDM4E (0.55) KDM4EHSD17B10GRK2L3MBTL1CNOT7
SCHEMBL7002562 0.78 KDM4E (0.53) KDM4EHSD17B10NPSR1ALDH1A1HPGD
SCHEMBL7004474 0.77 ALDH1A1 (0.51) KDM4EHSD17B10NPSR1ALDH1A1ROCK2
SCHEMBL7077434 0.77 KDM4E (0.45) KDM4EHSD17B10GRK2NPSR1RXFP1
SCHEMBL12761304 0.76 RAB9A (0.40) ALDH1A1
SCHEMBL7002186 0.76 TSHR (0.45) KDM4EGRK2L3MBTL1ALDH1A1HPGD
SCHEMBL7002396 0.75 SMN1; SMN2 (0.62) KDM4ERXFP1L3MBTL1ALDH1A1HPGD

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 4 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
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 1874/4885HSD17B10 2016/4885GRK2 814/4885

“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.