SCHEMBL27178260

SCHEMBL27178260

CC(=NNC(=O)c1ccc(N(C)C)cc1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.74
▸ NPC1 O15118 9/20 0.74
▸ AGTR1 P30556 7/20 0.74
▸ OPRK1 P41145 4/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ MAPT P10636 6/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ GFER P55789 1/20 0.64
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ GAA P10253 5/20 0.60
▸ MITF O75030 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PKM P14618 1/20 0.58

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
SCHEMBL27178256 1.00 RAB9A (0.74) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL15882844 0.85 AGTR1 (1.00) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL12218079 0.85 AGTR1 (1.00) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL17438145 0.85 AGTR1 (1.00) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL30826082 0.85 AGTR1 (1.00) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL27178229 0.84 NPC1 (1.00) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL27178221 0.84 NPC1 (1.00) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL27177841 0.82 RAB9A (0.74) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL27177844 0.82 RAB9A (0.74) RAB9ANPC1AGTR1OPRK1L3MBTL1
SCHEMBL12720817 0.82 NPC1 (0.76) RAB9ANPC1AGTR1OPRK1L3MBTL1

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 RAB9A 1387/4885NPC1 2564/4885AGTR1 865/4885

“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.

Send feedback