SCHEMBL27123775

SCHEMBL27123775

C#CCn1c(=O)c2[nH]c(C=Cc3cccc(OC)c3)nc2n(CCCCP(=O)(O)O)c1=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.58
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ ADORA1 P30542 1/20 0.56

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
SCHEMBL29499431 1.00 GLA (0.58) GLAADORA2AADORA2BADORA1
SCHEMBL24304503 1.00 GLA (0.58) GLAADORA2AADORA2BADORA1
SCHEMBL27125885 0.90 GLA (0.72) GLAADORA2AADORA2BADORA1
SCHEMBL26979963 0.90 GLA (0.72) GLAADORA2AADORA2BADORA1
SCHEMBL2539375 0.90 ADORA2A (0.70) GLAADORA2AADORA2BADORA1
SCHEMBL29448500 0.90 ADORA2A (0.70) GLAADORA2AADORA2BADORA1
SCHEMBL2539373 0.90 ADORA2A (0.70) GLAADORA2AADORA2BADORA1
SCHEMBL24305379 0.88 ADORA2A (0.57) GLAADORA2AADORA2BADORA1
SCHEMBL4456982 0.85 ADORA2A (0.58) GLAADORA2AADORA2BADORA1
SCHEMBL4453203 0.83 ADORA2A (0.56) 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 GLA 2308/4885ADORA2A 207/4885ADORA2B 262/4885

“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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