SCHEMBL30745668

SCHEMBL30745668

O=C(NCC(F)(F)F)c1ccnc(Nc2nc(-c3ccccn3)c(CO)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.42
CHEK1 O14757 2/20 0.41
CDK7 P50613 2/20 0.41
ULK1 O75385 1/20 0.39
AR P10275 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDR P35968 2/20 0.36
TGFBR1 P36897 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNN1 Q92952 1/20 0.35
KCNN2 Q9H2S1 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL24358184 1.00 GABRA5 (0.42) GABRA5CHEK1CDK7ULK1AR
SCHEMBL29601197 0.92 CHEK1 (0.42) GABRA5CHEK1CDK7ULK1AR
SCHEMBL29601482 0.88 GABRA5 (0.45) GABRA5CHEK1CDK7ULK1CDK5
SCHEMBL24358064 0.88 GABRA5 (0.45) GABRA5CHEK1CDK7ULK1CDK5
SCHEMBL24358115 0.83 SCN9A (0.40) GABRA5CHEK1CDK7ULK1AR
SCHEMBL24358123 0.83 SCN9A (0.40) GABRA5CHEK1CDK7ULK1AR
SCHEMBL29601458 0.83 SCN9A (0.40) GABRA5CHEK1CDK7ULK1AR
SCHEMBL24358255 0.81 KCNN1 (0.56) KCNN1KCNN2KCNN3MEN1ALDH1A1
SCHEMBL29601694 0.81 KCNN1 (0.56) KCNN1KCNN2KCNN3MEN1ALDH1A1
SCHEMBL24358025 0.81 CHRNA7 (0.41) KCNN1KCNN2KCNN3MEN1ALDH1A1

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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA GABRA5 2324/4885CHEK1 4707/4885CDK7 3013/4885

“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.