SCHEMBL3748827

SCHEMBL3748827

Cc1nn(-c2ncccn2)nc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
KDM4E B2RXH2 7/20 0.51
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
KAT2B Q92831 1/20 0.46
MYC P01106 2/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 4/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL26796576 0.86 KDM4E (0.42) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL26792024 0.81 KDM4E (0.40) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL26659429 0.79 BRD4 (0.46) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL316035 0.76 KDM4E (0.75) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL19118816 0.75 KDM4E (0.73) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6321753 0.75 KDM4E (0.51) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6313890 0.74 KDM4E (0.50) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL4775643 0.71 KDM4E (0.64) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6312708 0.71 PKM (0.71) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6314682 0.71 PKM (0.75) PKMKDM4ELMNAADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
WO-2023220223-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 WO disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 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 (2 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-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 PKM 2578/4885KDM4E 3953/4885LMNA 2519/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 PKM 2385/4885KDM4E 3311/4885LMNA 3768/4885

“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.