SCHEMBL7002396

SCHEMBL7002396

Cc1ccccc1Cn1cnc2n[nH]cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2D6 P10635 1/20 0.54
ALDH1A1 P00352 4/20 0.51
THRB P10828 1/20 0.51
TP53 P04637 3/20 0.50
RXFP1 Q9HBX9 2/20 0.49
MAPT P10636 2/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.43
POLB P06746 2/20 0.42
CYP1A2 P05177 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
SCHEMBL7003807 0.85 PDE5A (0.51) SMN1; SMN2ALDH1A1TP53RXFP1MEN1
SCHEMBL7004474 0.85 ALDH1A1 (0.51) SMN1; SMN2TSHRCYP3A4CYP2C19CYP2C9
SCHEMBL7006249 0.82 ALDH1A1 (0.54) SMN1; SMN2TSHRCYP3A4CYP2C19CYP2C9
SCHEMBL7002674 0.81 GRK2 (0.52) SMN1; SMN2RXFP1CYP11B1CYP11B2LMNA
SCHEMBL7004068 0.80 SMN1; SMN2 (0.62) SMN1; SMN2TSHRCYP3A4CYP2C19CYP2C9
SCHEMBL7002562 0.78 KDM4E (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL6998588 0.78 MEN1 (0.43) SMN1; SMN2TSHRCYP3A4CYP2C19CYP2C9
SCHEMBL12761304 0.76 RAB9A (0.40) SMN1; SMN2TSHRALDH1A1
SCHEMBL7002186 0.75 TSHR (0.45) TSHRALDH1A1TP53LMNAL3MBTL1
SCHEMBL7003110 0.75 TP53 (0.53) TSHRCYP3A4CYP2C19TP53MEN1

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 SMN1; SMN2 861/4885TSHR 3213/4885CYP3A4 239/4885

“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.