SCHEMBL5404467

SCHEMBL5404467

Clc1ccc2nccc(CBr)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.56
PARP1 P09874 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
SOS2 Q07890 1/20 0.43
CYP1A2 P05177 2/20 0.42
CCR1 P32246 1/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
FERMT2 Q96AC1 1/20 0.39
CYP2D6 P10635 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CA9 Q16790 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
SCHEMBL11893054 0.82 NR4A2 (0.56) NR4A2PARP1CCNCCDK8SOS2
SCHEMBL15453316 0.79 NR4A2 (0.53) NR4A2PARP1CCNCCDK8SOS2
SCHEMBL15453337 0.76 NR4A2 (0.49) NR4A2PARP1CCNCCDK8SOS2
SCHEMBL29895443 0.76 NR4A2 (0.61) NR4A2PARP1CCNCCDK8SOS2
SCHEMBL11772672 0.76 NR4A2 (0.61) NR4A2PARP1CCNCCDK8SOS2
SCHEMBL11347720 0.75 KDM4E (0.40) NR4A2PARP1KDM4ELMNAHTT
SCHEMBL30051309 0.75 NR4A2 (0.66) NR4A2PARP1CCNCCDK8SOS2
SCHEMBL1888577 0.75 NR4A2 (0.66) NR4A2PARP1CCNCCDK8SOS2
SCHEMBL30200129 0.75 LOXL2 (0.64) CYP1A2FERMT2CYP2D6LOXL2KDM4E
SCHEMBL2592802 0.75 LOXL2 (0.64) CYP1A2FERMT2CYP2D6LOXL2KDM4E

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 6 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-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US 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 (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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC NR4A2 2321/4885PARP1 1338/4885CCNC 738/4885

“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.