SCHEMBL7004474

SCHEMBL7004474

O=c1c2c[nH]nc2ncn1Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
ACP1 P24666 1/20 0.43
ROCK2 O75116 1/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL7004861 0.85 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL7002396 0.85 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7002674 0.84 GRK2 (0.52) SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL7006249 0.82 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL7003807 0.82 PDE5A (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7003110 0.80 TP53 (0.53) MEN1KMT2ATSHRGAALMNA
SCHEMBL7078423 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7000340 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7002562 0.78 KDM4E (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7003741 0.77 KDM4E (0.49) ALDH1A1KDM4EROCK2HSD17B10NPSR1

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 ALDH1A1 568/4885MEN1 2351/4885KMT2A 2750/4885

“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.