SCHEMBL7006249

SCHEMBL7006249

O=c1c2c[nH]nc2ncn1Cc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.42
TRPC5 Q9UL62 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
DDR1 Q08345 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
AR P10275 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL7004474 0.82 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2HTTLMNA
SCHEMBL7002396 0.82 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HTTLMNATP53
SCHEMBL7003807 0.81 PDE5A (0.51) ALDH1A1TDP1SMN1; SMN2HTTYTHDC1
SCHEMBL16053109 0.80 ALDH1A1 (0.68) ALDH1A1MAPK1TDP1SMN1; SMN2HTT
SCHEMBL7000103 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1TDP1TRPC5SMN1; SMN2
SCHEMBL7002674 0.79 GRK2 (0.52) SMN1; SMN2LMNAPOLB
SCHEMBL7002186 0.76 TSHR (0.45) ALDH1A1MAPK1HTTLMNATP53
SCHEMBL7002562 0.76 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL7004560 0.74 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL12761304 0.74 RAB9A (0.40) ALDH1A1SMN1; SMN2TSHR

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 3675/4885TDP1 1323/4885

“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.