SCHEMBL5403856

SCHEMBL5403856

CCCn1c(NN)cc(=O)n(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36

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
SCHEMBL10501681 0.88 ALDH1A1 (0.41) ALDH1A1MAPK1CYP1A2NPSR1GAA
SCHEMBL10992886 0.87 CYP1A2 (0.51) ALDH1A1MAPK1CYP1A2NPSR1GAA
SCHEMBL10332847 0.82 CYP1A2 (0.42) ALDH1A1MAPK1CYP1A2GAATSHR
SCHEMBL1652855 0.80 ALDH1A1 (0.64) ALDH1A1MAPK1CYP1A2NPSR1GAA
SCHEMBL6990525 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1CYP1A2NPSR1GAA
SCHEMBL5397566 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1CYP1A2NPSR1GAA
SCHEMBL480505 0.77 MAPK1 (0.56) ALDH1A1MAPK1CYP1A2NPSR1HSD17B10
SCHEMBL6305749 0.77 ALDH1A1 (0.64) ALDH1A1MAPK1CYP1A2NPSR1GAA
SCHEMBL10562415 0.75 TAAR1 (0.45) ALDH1A1MAPK1HSD17B10TSHRL3MBTL1
SCHEMBL30471915 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1CYP1A2NPSR1GAA

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 ALDH1A1 903/4885MAPK1 537/4885CYP1A2 276/4885

“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.

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