SCHEMBL24512928

SCHEMBL24512928

Cn1ccc2c(C(=O)N[C@H]3CC[C@@H](Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)ccnc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.41
▸ BRAF P15056 3/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ AR P10275 9/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ PTK2 Q05397 1/20 0.38

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
SCHEMBL29665829 1.00 KDR (0.41) KDRBRAFDRD2DRD3AR
SCHEMBL24512938 0.82 KDR (0.40) KDRBRAFDRD2DRD3AR
SCHEMBL29665955 0.82 KDR (0.40) KDRBRAFDRD2DRD3AR
SCHEMBL29665826 0.82 JAK2 (0.43) KDRBRAFDRD2DRD3TAS2R14
SCHEMBL24513513 0.82 JAK2 (0.43) KDRBRAFDRD2DRD3TAS2R14
SCHEMBL29665833 0.82 TRPA1 (0.42) KDRBRAFDRD2DRD3AR
SCHEMBL24512937 0.82 TRPA1 (0.42) KDRBRAFDRD2DRD3AR
SCHEMBL24632331 0.78 AR (0.45) KDRBRAFARTRPA1
SCHEMBL29665818 0.78 AR (0.45) KDRBRAFARTRPA1
SCHEMBL24512932 0.77 TRPA1 (0.43) KDRBRAFDRD2DRD3AR

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 9 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-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-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
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 KDR 1909/4885BRAF 2050/4885DRD2 280/4885
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 KDR 1909/4885BRAF 2050/4885DRD2 280/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 KDR 1909/4885BRAF 2050/4885DRD2 280/4885

“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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