SCHEMBL9768844

SCHEMBL9768844

CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.76
RAB9A P51151 9/20 0.74
NPC1 O15118 5/20 0.74
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 2/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
ESRRG P62508 1/20 0.63
ATM Q13315 1/20 0.62
AGTR1 P30556 1/20 0.62
LMNA P02545 1/20 0.60

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
SCHEMBL27177974 1.00 GAA (0.76) GAARAB9ANPC1KMT2AMEN1
SCHEMBL30826051 1.00 GAA (0.76) GAARAB9ANPC1KMT2AMEN1
SCHEMBL27178276 0.88 GAA (0.86) GAARAB9ANPC1KMT2AMEN1
SCHEMBL27178272 0.88 GAA (0.86) GAARAB9ANPC1KMT2AMEN1
SCHEMBL30826124 0.86 GAA (0.80) GAARAB9ANPC1KMT2AMEN1
SCHEMBL27178006 0.86 GAA (0.80) GAARAB9ANPC1KMT2AMEN1
SCHEMBL27178001 0.86 GAA (0.80) GAARAB9ANPC1KMT2AMEN1
SCHEMBL10805111 0.85 RAB9A (1.00) GAARAB9ANPC1KMT2AMEN1
SCHEMBL30826099 0.83 RAB9A (1.00) GAARAB9ANPC1KMT2AMEN1
SCHEMBL27177931 0.83 RAB9A (1.00) GAARAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580403-A2 APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2024050040-A2 APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US 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-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 GAA 168/4885RAB9A 1387/4885NPC1 2564/4885

“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.