SCHEMBL6657052

SCHEMBL6657052

CC(C)CN1C(=O)N(C)C(=O)C(=NNc2cc(=O)n(C)c(=O)n2CC(C)C)C1NN

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.31

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
SCHEMBL6657054 0.73 ALDH1A1 (0.50) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL1652855 0.71 ALDH1A1 (0.64) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL10957985 0.64 ALDH1A1 (1.00) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL6394776 0.60 ALDH1A1 (0.67) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL1653731 0.59 ALDH1A1 (0.65) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL3829961 0.59 ALDH1A1 (0.65) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL1545990 0.59 ALDH1A1 (0.75) ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL5403840 0.58 GAA (0.45) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL5403839 0.58 GAA (0.45) ALDH1A1POLBTSHRNPSR1HSD17B10
SCHEMBL5403856 0.55 ALDH1A1 (0.56) ALDH1A1POLBTSHRNPSR1HSD17B10

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 903/4885POLB 383/4885TSHR 3317/4885

“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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