SCHEMBL26659337

SCHEMBL26659337

CCOC(=O)c1c(C)nn(-c2ncccn2)c1C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.66
PDE4B Q07343 2/20 0.60
KDM4E B2RXH2 3/20 0.58
P2RY12 Q9H244 3/20 0.50
MAPT P10636 2/20 0.50
ALKBH1 Q13686 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SLC34A1 Q06495 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL123446 0.83 PDE4D (0.67) PDE4DPDE4BKDM4EP2RY12MAPT
SCHEMBL6070100 0.80 KDM4E (0.62) PDE4DPDE4BKDM4EP2RY12MAPT
SCHEMBL26796556 0.80 ALKBH1 (0.46) PDE4DKDM4EMAPTALKBH1ALDH1A1
SCHEMBL26659276 0.80 ALKBH1 (0.59) PDE4DKDM4EMAPTALKBH1RAB9A
SCHEMBL6069548 0.79 PDE4D (1.00) PDE4DPDE4BP2RY12MAPTALDH1A1
SCHEMBL3269737 0.78 PDE4D (0.56) PDE4DPDE4BKDM4EP2RY12MAPT
SCHEMBL6070326 0.77 PKM (0.62) PDE4DPDE4BKDM4EP2RY12MAPT
SCHEMBL6070059 0.77 PDE4D (0.80) PDE4DPDE4BP2RY12MAPTALDH1A1
SCHEMBL17255673 0.76 PDE4B (0.74) PDE4DPDE4BKDM4EP2RY12MAPT
SCHEMBL26792019 0.76 ALKBH1 (0.43) PDE4DPDE4BKDM4EMAPTALKBH1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PDE4D 3582/4885PDE4B 3378/4885KDM4E 3953/4885

“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.