SCHEMBL27178069

SCHEMBL27178069

O=C(N/N=C(/c1ccccc1)c1ccccn1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 8/20 1.00
▸ SMN1; SMN2 Q16637 6/20 0.78
▸ RAB9A P51151 6/20 0.78
▸ HTT P42858 5/20 0.78
▸ LMNA P02545 5/20 0.78
▸ TDP1 Q9NUW8 3/20 0.78
▸ ALDH1A1 P00352 3/20 0.78
▸ MAPT P10636 2/20 0.78
▸ KDM4E B2RXH2 2/20 0.78
▸ KMT2A Q03164 6/20 0.74
▸ MEN1 O00255 4/20 0.74
▸ NPSR1 Q6W5P4 3/20 0.74
▸ HPGD P15428 3/20 0.74
▸ NPC1 O15118 5/20 0.73
▸ NCOA3 Q9Y6Q9 2/20 0.73
▸ NCOA1 Q15788 1/20 0.73
▸ OPRK1 P41145 3/20 0.70
▸ MITF O75030 2/20 0.70
▸ TP53 P04637 1/20 0.69
▸ POLB P06746 1/20 0.69

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
SCHEMBL15741850 1.00 AGTR1 (1.00) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL1028452 0.95 AGTR1 (0.91) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL12720823 0.94 AGTR1 (0.88) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL1025581 0.86 AGTR1 (0.76) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL1028098 0.85 AGTR1 (0.74) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL12720819 0.84 AGTR1 (0.71) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL1024477 0.84 AGTR1 (0.72) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL12720802 0.83 AGTR1 (0.71) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL31690656 0.83 AGTR1 (0.70) AGTR1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL1562723 0.81 GSTA1 (0.68) AGTR1SMN1; SMN2RAB9AHTTLMNA

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 AGTR1 865/4885SMN1; SMN2 4511/4885RAB9A 1387/4885

“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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