SCHEMBL27128897

SCHEMBL27128897

CCCn1c(=O)c2[nH]c(C=Cc3ccccc3)nc2n(CCCOP(=O)(O)O)c1=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.55
▸ ADORA2B P29275 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA1 P30542 1/20 0.48

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
SCHEMBL26979999 1.00 ADORA2A (0.55) ADORA2AADORA2BKDM4EMEN1ALDH1A1
SCHEMBL7396869 0.86 KDM4E (0.62) ADORA2AADORA2BKDM4EMEN1ALDH1A1
SCHEMBL7396871 0.86 KDM4E (0.62) ADORA2AADORA2BKDM4EMEN1ALDH1A1
SCHEMBL6046607 0.86 ADORA2A (0.55) ADORA2AADORA2BKDM4EMEN1ALDH1A1
SCHEMBL5759762 0.86 ADORA2A (0.55) ADORA2AADORA2BKDM4EMEN1ALDH1A1
SCHEMBL27130019 0.83 GLA (0.58) ADORA2AADORA2B
SCHEMBL26980696 0.83 GLA (0.58) ADORA2AADORA2B
SCHEMBL7731332 0.79 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7731341 0.79 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1
SCHEMBL26979963 0.79 GLA (0.72) ADORA2AADORA2BADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002416-A1 MRGPRX4 Agonists and Antagonists RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2024-01-04 — — 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-20240002416-A1 MRGPRX4 Agonists and Antagonists MRGPRX4, MRGPRX1, MRGPRX2 ADORA2A 207/4885ADORA2B 262/4885KDM4E 2911/4885

“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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