Sugi Predict

Sugi Predict / Compounds / SCHEMBL5407645

SCHEMBL5407645

SCHEMBL5407645

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A1 P53985 4/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ CAMK2B Q13554 1/20 0.43
▸ HIPK4 Q8NE63 1/20 0.43
▸ DPP4 P27487 2/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ADORA2B P29275 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL5395919 0.93 SLC16A1 (0.40) SLC16A1MEN1KMT2ACYP2C9MAPKAPK2
SCHEMBL5407856 0.93 SLC16A1 (0.47) SLC16A1MEN1KMT2ACYP2C9MAPKAPK2
SCHEMBL5399551 0.93 SLC16A1 (0.43) SLC16A1MEN1KMT2ACYP2C9MAPKAPK2
SCHEMBL5398894 0.93 SLC16A1 (0.49) SLC16A1MEN1KMT2ACYP2C9MAPKAPK2
SCHEMBL5395189 0.91 SLC16A1 (0.45) SLC16A1MEN1KMT2ACYP2C9MAPKAPK2
SCHEMBL5411108 0.91 SLC16A1 (0.45) SLC16A1MEN1KMT2ACYP2C9MAPKAPK2
SCHEMBL5398394 0.91 MEN1 (0.52) MEN1KMT2ADPP4ALDH1A1SMN1; SMN2
SCHEMBL5400640 0.91 SLC16A1 (0.54) SLC16A1MEN1KMT2ACYP2C9MAPKAPK2
SCHEMBL5398859 0.90 SLC16A1 (0.45) SLC16A1CYP2C9CYP3A4
SCHEMBL5404381 0.90 MEN1 (0.42) SLC16A1MEN1KMT2AALDH1A1SMN1; SMN2

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 SLC16A1 4140/4885MEN1 4216/4885KMT2A 3837/4885

“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.