SCHEMBL5408183

SCHEMBL5408183

CC(C)Cn1c(Cl)cc(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.42
ALDH1A1 P00352 9/20 0.40
CYP3A4 P08684 4/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL29776965 0.80 B3GNT2 (0.43) B3GNT2ALDH1A1CYP3A4HPGDMEN1
SCHEMBL9257137 0.79 KMT2A (0.51) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL16644078 0.79 KMT2A (0.53) B3GNT2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1948407 0.79 ALDH1A1 (0.56) B3GNT2ALDH1A1CYP3A4HPGDMEN1
SCHEMBL5742355 0.76 MAPT (0.41) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL8195993 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL5400116 0.75 ALDH1A1 (0.42) B3GNT2ALDH1A1CYP3A4HPGDMEN1
SCHEMBL2678032 0.74 KMT2A (0.46) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL3985429 0.74 MAPT (0.44) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL17467913 0.73 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection HETERO DRUGS LIMITED (IN) 2007-01-04 US disclosed
EP-1585748-B1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2006-12-27 EP disclosed
EP-1585748-A1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION AstraZeneca AB (SE) 2005-10-19 EP disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
WO-2004056831-A1 PYRAZOLO [3,4-d] PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 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 (2 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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC B3GNT2 514/4885ALDH1A1 903/4885CYP3A4 129/4885
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection DPYD, TPMT, UMPS B3GNT2 478/4885ALDH1A1 1865/4885CYP3A4 207/4885

“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.