SCHEMBL24513513

SCHEMBL24513513

N#Cc1ccc(N[C@H]2CC[C@@H](NC(=O)c3ccnc4[nH]ccc34)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ TYK2 P29597 3/20 0.43
▸ TNKS O95271 1/20 0.41
▸ KDR P35968 4/20 0.41
▸ BRAF P15056 3/20 0.41
▸ ACHE P22303 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ PREP P48147 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ JAK3 P52333 2/20 0.38
▸ TGFBR1 P36897 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ ULK1 O75385 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37

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
SCHEMBL29665826 1.00 JAK2 (0.43) JAK2JAK1TYK2TNKSKDR
SCHEMBL24512937 0.88 TRPA1 (0.42) KDRBRAFTRPA1DRD2DRD3
SCHEMBL29665833 0.88 TRPA1 (0.42) KDRBRAFTRPA1DRD2DRD3
SCHEMBL29665852 0.87 TRPA1 (0.42) JAK2JAK1TYK2KDRBRAF
SCHEMBL24512922 0.87 TRPA1 (0.42) JAK2JAK1TYK2KDRBRAF
SCHEMBL24512938 0.86 KDR (0.40) KDRBRAFTRPA1DRD2DRD3
SCHEMBL29665955 0.86 KDR (0.40) KDRBRAFTRPA1DRD2DRD3
SCHEMBL24513509 0.85 TAS2R14 (0.43) JAK2JAK1TYK2TRPA1CDK8
SCHEMBL29665884 0.85 TAS2R14 (0.43) JAK2JAK1TYK2TRPA1CDK8
SCHEMBL24512928 0.82 KDR (0.41) KDRBRAFTRPA1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — US disclosed
US-11952346-B2 Modulators of mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2024-04-09 — — US disclosed
EP-4259604-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-18 — — EP disclosed
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2022-10-27 — — US disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — 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 (3 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-11952346-B2 Modulators of mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 JAK2 1751/4885JAK1 3576/4885TYK2 3917/4885
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 JAK2 1751/4885JAK1 3576/4885TYK2 3917/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 JAK2 1751/4885JAK1 3576/4885TYK2 3917/4885

“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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