SCHEMBL30745778

SCHEMBL30745778

FC(F)(F)c1ccnc(Nc2nc(-c3ccccn3)c(CN3CCCC3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
CRHR1 P34998 2/20 0.41
KARS1 Q15046 2/20 0.39
MAP3K12 Q12852 8/20 0.39
IDH2 P48735 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SYK P43405 3/20 0.36
KCNN1 Q92952 1/20 0.36
KCNN2 Q9H2S1 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL24358155 1.00 KDR (0.44) KDRCRHR1KARS1MAP3K12IDH2
SCHEMBL24358023 0.99 KDR (0.43) KDRCRHR1KARS1MAP3K12IDH2
SCHEMBL29601680 0.99 KDR (0.43) KDRCRHR1KARS1MAP3K12IDH2
SCHEMBL30745665 0.92 MAP3K12 (0.42) KDRMAP3K12SYK
SCHEMBL24358235 0.92 MAP3K12 (0.42) KDRMAP3K12SYK
SCHEMBL24357959 0.87 MAP3K12 (0.39) KARS1MAP3K12IDH2SYKKCNN1
SCHEMBL29601176 0.87 MAP3K12 (0.39) KARS1MAP3K12IDH2SYKKCNN1
SCHEMBL24358207 0.86 TRPV1 (0.40) MAP3K12IDH2SYK
SCHEMBL30745671 0.86 TRPV1 (0.40) MAP3K12IDH2SYK
SCHEMBL24358098 0.85 KCNN1 (0.52) KDRKARS1MAP3K12KCNN1KCNN2

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 KDR 4128/4885CRHR1 1002/4885KARS1 3945/4885

“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.