SCHEMBL3484978

SCHEMBL3484978

O=C1NCc2cccc(O)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.59
KDR P35968 6/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
USP2 O75604 2/20 0.52
CYP3A4 P08684 2/20 0.52
THRB P10828 2/20 0.52
KMT2A Q03164 2/20 0.52
HPN P05981 1/20 0.52
ALOX5 P09917 1/20 0.52
PTGS1 P23219 1/20 0.52
PDE4A P27815 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL11774277 0.81 PARP1 (0.54) AURKAKDRALDH1A1MAPTALOX15
SCHEMBL3046612 0.76 AURKA (0.57) AURKAKDRCA12CA9CDK1
SCHEMBL1585047 0.76 AURKA (0.59) AURKAKDRCA12CA9CDK1
SCHEMBL6094925 0.76 AURKA (0.54) AURKAKDRCA12CA9CDK1
SCHEMBL12654234 0.76 AURKA (0.59) AURKAKDRCA12CA9CDK1
SCHEMBL4366835 0.76 AURKA (0.46) AURKAKDRALDH1A1MAPTALOX15
SCHEMBL2027473 0.76 TDP2 (0.58) AURKAKDRCA12CA9CDK1
SCHEMBL15648949 0.76 AURKA (0.54) AURKAKDRCA12CA9CDK1
SCHEMBL30539767 0.76 AURKA (0.73) AURKAKDRALDH1A1MAPTALOX15
SCHEMBL29956223 0.76 AURKA (0.54) AURKAKDRCA12CA9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397412-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-03-25 CN disclosed
US-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
US-11787767-B2 Modulators of mas-related g-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
US-11787767-B2 Modulators of mas-related g-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
US-11787767-B2 Modulators of mas-related g-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
EP-4251149-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2023-10-04 EP disclosed
EP-4135691-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-02-22 EP disclosed
CN-115397412-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2022-11-25 CN disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 WO disclosed
US-20210340106-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2021-11-04 US disclosed
US-20210340106-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2021-11-04 US disclosed
WO-2021211839-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2021-10-21 WO disclosed
WO-2021211839-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2021-10-21 WO disclosed
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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 (4 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-11787767-B2 Modulators of mas-related g-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 AURKA 4484/4885KDR 3882/4885ALDH1A1 4387/4885
US-20210340106-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 AURKA 4484/4885KDR 3882/4885ALDH1A1 4387/4885
US-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 AURKA 3759/4885KDR 4789/4885ALDH1A1 1174/4885
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 AURKA 181/4885KDR 109/4885ALDH1A1 2591/4885

“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.