SCHEMBL6997875

SCHEMBL6997875

Cn1cc2c(=O)n(Cc3c(F)cccc3F)cnc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A2 O94788 2/20 0.38
ALDH1A3 P47895 2/20 0.38
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL7077791 0.92 TSHR (0.58) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7077328 0.85 TSHR (0.43) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7081643 0.85 TSHR (0.45) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7077867 0.85 TSHR (0.47) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7083726 0.84 TSHR (0.44) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7077294 0.83 TSHR (0.42) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7081942 0.82 LMNA (0.46) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7077411 0.81 LMNA (0.45) CHRM1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL7000183 0.81 SMN1; SMN2 (0.51) ALDH1A1KDM4EGAALMNAPKM
SCHEMBL7003827 0.80 SMN1; SMN2 (0.49) KDM4EGAALMNAPOLBHPGD

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 CHRM1 1530/4885TSHR 3213/4885MAPK1 3675/4885

“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.