SCHEMBL24512972

SCHEMBL24512972

N#Cc1ccc(N[C@H]2CC[C@@H](NC(=O)c3c[nH]c4ccncc34)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.43
▸ PRKCQ Q04759 4/20 0.39
▸ PRKCD Q05655 4/20 0.39
▸ BLM P54132 1/20 0.39
▸ CD38 P28907 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BRAF P15056 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36

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
SCHEMBL29665820 1.00 TRPA1 (0.43) TRPA1PRKCQPRKCDBLMCD38
SCHEMBL24512965 0.93 TRPA1 (0.43) TRPA1PRKCQPRKCDBLMCD38
SCHEMBL29665941 0.93 TRPA1 (0.43) TRPA1PRKCQPRKCDBLMCD38
SCHEMBL29665915 0.88 JAK3 (0.44) TRPA1KMT2ABACE1MEN1POLB
SCHEMBL24512903 0.88 JAK3 (0.44) TRPA1KMT2ABACE1MEN1POLB
SCHEMBL24512922 0.85 TRPA1 (0.42) TRPA1BRAFKDRTAS2R14CDK2
SCHEMBL29665852 0.85 TRPA1 (0.42) TRPA1BRAFKDRTAS2R14CDK2
SCHEMBL24512937 0.81 TRPA1 (0.42) TRPA1PRKCQPRKCDBRAFKDR
SCHEMBL24513513 0.81 JAK2 (0.43) TRPA1BRAFKDRTAS2R14GSK3B
SCHEMBL29665826 0.81 JAK2 (0.43) TRPA1BRAFKDRTAS2R14GSK3B

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 TRPA1 997/4885PRKCQ 1080/4885PRKCD 903/4885
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 997/4885PRKCQ 1080/4885PRKCD 903/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 997/4885PRKCQ 1080/4885PRKCD 903/4885

“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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