SCHEMBL30309032

SCHEMBL30309032

O=c1n(CCC(F)(F)F)nc(Cc2c(F)cccc2Cl)n1CC1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.40
▸ IL1B P01584 4/20 0.39
▸ AVPR2 P30518 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30309029 0.91 P2RX7 (0.38) P2RX7IL1BADORA2AADORA2BLMNA
SCHEMBL29195769 0.89 P2RX7 (0.39) P2RX7ADORA2AADORA2BLMNAALOX15
SCHEMBL29195800 0.87 P2RX7 (0.40) P2RX7ADORA2AADORA2BLMNAALOX15
SCHEMBL29195848 0.86 P2RX7 (0.41) P2RX7ADORA2AADORA2BLMNAALDH1A1
SCHEMBL29195810 0.86 P2RX7 (0.44) P2RX7ADORA2AADORA2BLMNAALOX15
SCHEMBL29195783 0.85 TP53 (0.42) P2RX7ADORA2AADORA2BLMNAALDH1A1
SCHEMBL29195801 0.84 ADORA2A (0.38) P2RX7ADORA2AADORA2BLMNAALOX15
SCHEMBL29195799 0.84 P2RX7 (0.39) P2RX7IL1BADORA2AADORA2BLMNA
SCHEMBL29195788 0.82 LMNA (0.36) P2RX7ADORA2AADORA2BLMNAALOX15
SCHEMBL29195748 0.81 P2RX7 (0.39) P2RX7ADORA2AADORA2BLMNAALOX15

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
US-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists BREYE THERAPEUTICS APS (DK) 2024-11-07 — — US disclosed
EP-4396181-A1 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P2X7 ANTAGONISTS Breye Therapeutics ApS (DK) 2024-07-10 — — EP disclosed
WO-2023031319-A1 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P2X7 ANTAGONISTS AXXAM S.P.A. (IT) 2023-03-09 — — WO 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-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists P2RX3, P2RX7, P2RX2 P2RX7 2/4885IL1B 115/4885AVPR2 1423/4885

“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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