SCHEMBL5404441

SCHEMBL5404441

CC(C)Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 2/20 0.42
ALDH1A1 P00352 8/20 0.41
USP2 O75604 3/20 0.41
HTT P42858 3/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCHE P06276 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 1/20 0.36
PDE5A O76074 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL5400442 0.93 ALDH1A1 (0.44) SLC16A1ALDH1A1USP2HTTTSHR
SCHEMBL5405480 0.90 ALDH1A1 (0.47) SLC16A1ALDH1A1USP2HTTTSHR
SCHEMBL5402814 0.88 SLC16A1 (0.44) SLC16A1ALDH1A1MAPTSMN1; SMN2PDE5A
SCHEMBL5395453 0.86 SLC16A1 (0.44) SLC16A1ALDH1A1MAPTSMN1; SMN2PDE5A
SCHEMBL5395371 0.86 SLC16A1 (0.52) SLC16A1ALDH1A1USP2HTTTSHR
SCHEMBL5405296 0.85 SLC16A1 (0.42) SLC16A1ALDH1A1HTTTSHRLMNA
SCHEMBL5395420 0.84 SLC16A1 (0.43) SLC16A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL5409782 0.83 SLC16A1 (0.41) SLC16A1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5408067 0.83 SLC16A1 (0.41) SLC16A1ALDH1A1USP2HTTTSHR
SCHEMBL5411276 0.83 SLC16A1 (0.41) SLC16A1ALDH1A1MAPTSMN1; SMN2PDE5A

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-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 SLC16A1 4140/4885ALDH1A1 903/4885USP2 4337/4885

“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.