SCHEMBL27178164

SCHEMBL27178164

C/C(=N\NC(=O)c1ccccn1)c1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.70
▸ RAB9A P51151 10/20 0.70
▸ GAA P10253 5/20 0.70
▸ MAPT P10636 3/20 0.70
▸ KMT2A Q03164 5/20 0.68
▸ MAPK1 P28482 1/20 0.66
▸ AGTR1 P30556 5/20 0.62
▸ OPRK1 P41145 4/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MEN1 O00255 2/20 0.61
▸ HSP90AA1 P07900 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.56

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
SCHEMBL27178051 1.00 NPC1 (0.70) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL27178057 1.00 NPC1 (0.70) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL30826052 0.88 NPC1 (0.69) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL27178162 0.88 NPC1 (0.69) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL27178152 0.88 NPC1 (0.69) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL27178013 0.86 NPC1 (0.58) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL27178019 0.86 NPC1 (0.58) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL30826062 0.84 NPC1 (0.58) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL27178098 0.84 NPC1 (0.58) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL27178107 0.84 NPC1 (0.58) NPC1RAB9AGAAMAPTKMT2A

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
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-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 NPC1 2564/4885RAB9A 1387/4885GAA 168/4885

“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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