SCHEMBL7000103

SCHEMBL7000103

Cn1cc2c(=O)n(Cc3ccccc3C(F)(F)F)cnc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DDR1 Q08345 1/20 0.43
YTHDC1 Q96MU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
TRPC5 Q9UL62 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
SCHEMBL7004068 0.84 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HTTCYP3A4CYP2D6
SCHEMBL7000340 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2HTTCYP3A4
SCHEMBL7079144 0.83 SMN1; SMN2 (0.45) ALDH1A1MAPK1SMN1; SMN2DDR1HTT
SCHEMBL7006943 0.81 PDE5A (0.50) ALDH1A1SMN1; SMN2YTHDC1TDP1HTT
SCHEMBL7077422 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL7001724 0.80 TP53 (0.56) ALDH1A1MAPK1SMN1; SMN2HTTTSHR
SCHEMBL7077435 0.80 ALDH1A1 (0.45) ALDH1A1MAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL7003827 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBLMNAKDM4E
SCHEMBL7002718 0.80 TRPA1 (0.48) ALDH1A1SMN1; SMN2MKNK1MKNK2DDR1
SCHEMBL7006249 0.80 ALDH1A1 (0.54) ALDH1A1MAPK1SMN1; SMN2MKNK1MKNK2

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 ALDH1A1 568/4885MAPK1 3675/4885SMN1; SMN2 861/4885

“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.