Sugi Predict

Sugi Predict / Compounds / SCHEMBL5402570

SCHEMBL5402570

SCHEMBL5402570

CC(=O)Nc1nc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2csc3ccccc23)c(C)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A1 P53985 5/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SHMT2 P34897 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL5408201 0.91 CTSL (0.34) SLC16A1LMNASHMT2PDE1APDE1B
SCHEMBL5397495 0.87 HSF1 (0.36) SLC16A1LMNAPDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL5402671 0.86 HSF1 (0.36) SLC16A1LMNAPDE1APDE1BPDE1C
SCHEMBL5399540 0.85 LMNA (0.36) SLC16A1LMNASHMT2PDE1APDE1B
SCHEMBL5405716 0.84 TP53 (0.44) SLC16A1LMNAPDE1APDE1BPDE1C
SCHEMBL5411081 0.81 SMN1; SMN2 (0.41) SLC16A1PDE1APDE1BPDE1CMEN1
SCHEMBL5398349 0.80 PDE1A (0.37) SLC16A1LMNAPDE1APDE1BPDE1C
SCHEMBL5395357 0.79 PDE5A (0.39) SLC16A1PDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL5406059 0.78 SLC16A1 (0.39) SLC16A1LMNAPDE1APDE1BPDE1C
SCHEMBL5409632 0.78 PDE1A (0.38) SLC16A1LMNAPDE1APDE1BPDE1C

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 4140/4885LMNA 4673/4885SHMT2 3524/4885

“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.