SCHEMBL27178063

SCHEMBL27178063

C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 8/20 0.77
▸ AGTR1 P30556 7/20 0.77
▸ KMT2A Q03164 7/20 0.77
▸ MEN1 O00255 3/20 0.77
▸ NPC1 O15118 10/20 0.70
▸ L3MBTL1 Q9Y468 4/20 0.70
▸ RAB9A P51151 8/20 0.65
▸ GAA P10253 4/20 0.64
▸ PKM P14618 1/20 0.62
▸ HSP90AA1 P07900 2/20 0.62
▸ POLB P06746 1/20 0.61
▸ LMNA P02545 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MITF O75030 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL27178078 1.00 OPRK1 (0.77) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL27177860 0.90 OPRK1 (0.77) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL27177866 0.90 OPRK1 (0.77) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL12720817 0.83 NPC1 (0.76) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL27178229 0.82 NPC1 (1.00) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL27178221 0.82 NPC1 (1.00) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL30826110 0.81 NPC1 (0.75) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL27178045 0.81 NPC1 (0.75) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL27178089 0.81 AGTR1 (0.83) OPRK1AGTR1KMT2AMEN1NPC1
SCHEMBL27178053 0.81 NPC1 (0.75) OPRK1AGTR1KMT2AMEN1NPC1

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 OPRK1 4716/4885AGTR1 865/4885KMT2A 3249/4885

“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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