SCHEMBL27178102

SCHEMBL27178102

CC(=NNC(=O)c1cccc2ccccc12)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.73
RAB9A P51151 9/20 0.67
NPC1 O15118 4/20 0.67
GAA P10253 2/20 0.64
KMT2A Q03164 5/20 0.62
POLB P06746 1/20 0.62
AGTR1 P30556 1/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 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
SCHEMBL27178086 1.00 ATM (0.73) ATMRAB9ANPC1GAAKMT2A
SCHEMBL27178011 0.86 KMT2A (0.67) ATMRAB9ANPC1GAAKMT2A
SCHEMBL27178018 0.86 KMT2A (0.67) ATMRAB9ANPC1GAAKMT2A
SCHEMBL1563626 0.85 NPC1 (0.65) RAB9ANPC1GAAKMT2APOLB
SCHEMBL1563625 0.85 NPC1 (0.65) RAB9ANPC1GAAKMT2APOLB
SCHEMBL6639769 0.85 NPC1 (0.65) RAB9ANPC1GAAKMT2APOLB
SCHEMBL30826105 0.84 ATM (0.75) ATMRAB9ANPC1GAAKMT2A
SCHEMBL27178033 0.84 ATM (0.75) ATMRAB9ANPC1GAAKMT2A
SCHEMBL27178038 0.84 ATM (0.75) ATMRAB9ANPC1GAAKMT2A
SCHEMBL27178276 0.83 GAA (0.86) ATMRAB9ANPC1GAAKMT2A

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
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

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 ATM 2264/4885RAB9A 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.