SCHEMBL6657054

SCHEMBL6657054

CC(C)Cn1c(NN=c2cc(NN)n(CC(C)C)c(=O)n2C)cc(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 2/20 0.33
▸ PARG Q86W56 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CFTR P13569 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ PDE6C P51160 1/20 0.32

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
SCHEMBL1652855 0.87 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL6657052 0.73 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL5403856 0.70 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL5397566 0.68 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL10957985 0.68 ALDH1A1 (1.00) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL6394776 0.66 ALDH1A1 (0.67) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL10992886 0.65 CYP1A2 (0.51) ALDH1A1L3MBTL1NPSR1GAAMAPK1
SCHEMBL6990525 0.65 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL480505 0.65 MAPK1 (0.56) ALDH1A1TSHRL3MBTL1POLBNPSR1
SCHEMBL1653731 0.65 ALDH1A1 (0.65) ALDH1A1TSHRL3MBTL1POLBNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 903/4885TSHR 3317/4885L3MBTL1 4329/4885

“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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