SCHEMBL21792802

SCHEMBL21792802

CCOc1nc(N)c2ncn(CC(O)COc3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.49
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 4/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AHCY P23526 1/20 0.40
HPRT1 P00492 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4094947 0.89 AGER (0.47) AGERLMNAMAPTGAAMAPK1
SCHEMBL7210234 0.77 PDE4A (0.60) ADORA2AADORA1ADORA2BCYP1A2CYP3A4
SCHEMBL4002739 0.75 TLR7 (0.52) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL21775530 0.74 ADORA2A (0.41) ADORA2AADORA1ADORA2BADORA3
SCHEMBL2554652 0.74 CCNE1 (0.58) ADORA2AADORA1CYP2C19ALDH1A1AHCY
SCHEMBL4103638 0.73 TLR7 (0.40) HPRT1
SCHEMBL3932343 0.72 TLR7 (0.48) ADORA2AADORA1ADORA2BADORA3
SCHEMBL13750576 0.71 TLR7 (0.52) LMNAMAPTKDM4E
SCHEMBL19539674 0.71 TLR7 (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL16131314 0.71 CCNE1 (0.57) ADORA2AADORA1CYP3A4ALDH1A1AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 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 (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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 AGER 1245/4885LMNA 1421/4885MAPT 3386/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 AGER 1245/4885LMNA 1421/4885MAPT 3386/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A AGER 904/4885LMNA 2085/4885MAPT 3208/4885

“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.