SCHEMBL25220189

SCHEMBL25220189

O=C(N[C@H]1CC[C@@H](Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1nccc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.42
▸ PDE4D Q08499 5/20 0.42
▸ PDE4A P27815 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ BRD4 O60885 3/20 0.38
▸ ATR Q13535 1/20 0.38
▸ CD38 P28907 5/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ABCB11 O95342 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 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
SCHEMBL25273921 1.00 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CBRD4
SCHEMBL25273325 0.87 KIT (0.42) PDE4BPDE4DPDE4APDE4CKIT
SCHEMBL25273326 0.87 KIT (0.42) PDE4BPDE4DPDE4APDE4CKIT
SCHEMBL29696916 0.87 ATR (0.41) BRD4ATRCD38PTK2SYK
SCHEMBL24583722 0.87 ATR (0.41) BRD4ATRCD38PTK2SYK
SCHEMBL29696777 0.86 TNKS (0.44) PDE4BPDE4DPDE4APDE4CHTR1A
SCHEMBL25221747 0.86 TNKS (0.44) PDE4BPDE4DPDE4APDE4CHTR1A
SCHEMBL24583842 0.83 CD38 (0.40) PDE4BPDE4DPDE4APDE4CBRD4
SCHEMBL29696827 0.83 CD38 (0.40) PDE4BPDE4DPDE4APDE4CBRD4
SCHEMBL25597910 0.82 NPC1 (0.53) HTR1ADRD2HTR2A

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-20250289815-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2025-09-18 — — US disclosed
US-12240845-B2 Modulators of mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2025-03-04 — — US disclosed
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-06-06 — — US disclosed
US-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-06-06 — — US disclosed
US-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-06-06 — — US disclosed
US-20220340559-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2022-10-27 — — 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 (5 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-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 PDE4B 586/4885PDE4D 444/4885PDE4A 930/4885
US-20220340559-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 PDE4B 586/4885PDE4D 444/4885PDE4A 930/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 PDE4B 586/4885PDE4D 444/4885PDE4A 930/4885
US-12240845-B2 Modulators of mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 PDE4B 586/4885PDE4D 444/4885PDE4A 930/4885
US-20250289815-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 PDE4B 586/4885PDE4D 444/4885PDE4A 930/4885

“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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