SCHEMBL29564440

SCHEMBL29564440

CC(Br)C(=O)Nc1cnc(Oc2ccc(F)c(F)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX2 Q96LB1 1/20 0.42
▸ ACACB O00763 17/20 0.41
▸ TDP1 Q9NUW8 1/20 0.36
▸ FFAR2 O15552 1/20 0.34

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
SCHEMBL27211370 1.00 MRGPRX2 (0.42) MRGPRX2ACACBTDP1FFAR2
SCHEMBL24297738 0.85 MRGPRX2 (0.55) MRGPRX2ACACB
SCHEMBL29078026 0.85 MRGPRX2 (0.55) MRGPRX2ACACB
SCHEMBL30473701 0.85 MRGPRX2 (0.55) MRGPRX2ACACB
SCHEMBL31133294 0.85 MRGPRX2 (0.55) MRGPRX2ACACB
SCHEMBL27211481 0.84 FFAR2 (0.39) ACACBTDP1FFAR2
SCHEMBL31132457 0.83 MRGPRX2 (0.43) MRGPRX2ACACBTDP1
SCHEMBL27211501 0.83 MRGPRX2 (0.43) MRGPRX2ACACBTDP1
SCHEMBL29563814 0.83 MRGPRX2 (0.43) MRGPRX2ACACBTDP1
SCHEMBL31132482 0.81 CARM1 (0.43) MRGPRX2ACACBTDP1FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — 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 (2 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 MRGPRX2 1/4885ACACB 4342/4885TDP1 4070/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 MRGPRX2 1/4885ACACB 4342/4885TDP1 4070/4885

“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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