SCHEMBL29564421

SCHEMBL29564421

CC(Br)C(=O)Nc1cnc(Oc2c(F)cc(F)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX2 Q96LB1 1/20 0.41
▸ GCK P35557 7/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ IDO1 P14902 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ FFAR2 O15552 1/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ MAPK14 Q16539 2/20 0.31
▸ KDR P35968 1/20 0.31
▸ TNNI3K Q59H18 1/20 0.31
▸ P2RY1 P47900 1/20 0.31

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
SCHEMBL27211459 1.00 MRGPRX2 (0.41) MRGPRX2GCKACACBALDH1A1RAB9A
SCHEMBL31510724 1.00 MRGPRX2 (0.41) MRGPRX2GCKACACBALDH1A1RAB9A
SCHEMBL27211403 0.88 GCK (0.46) MRGPRX2GCKALDH1A1RAB9ATDP1
SCHEMBL29564063 0.88 GCK (0.46) MRGPRX2GCKALDH1A1RAB9ATDP1
SCHEMBL31510699 0.86 GCK (0.38) MRGPRX2GCKALDH1A1RAB9AFFAR2
SCHEMBL24297738 0.85 MRGPRX2 (0.55) MRGPRX2GCKACACBALDH1A1RAB9A
SCHEMBL31133294 0.85 MRGPRX2 (0.55) MRGPRX2GCKACACBALDH1A1RAB9A
SCHEMBL30473701 0.85 MRGPRX2 (0.55) MRGPRX2GCKACACBALDH1A1RAB9A
SCHEMBL29078026 0.85 MRGPRX2 (0.55) MRGPRX2GCKACACBALDH1A1RAB9A
SCHEMBL29563845 0.84 MRGPRX2 (0.34) MRGPRX2ACACBRAB9ATDP1MAPK14

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-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 — — EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 — — WO disclosed
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 1/4885GCK 3694/4885ACACB 4342/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 MRGPRX2 1/4885GCK 3694/4885ACACB 4342/4885

“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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