SCHEMBL15401452

SCHEMBL15401452

Cn1cnc(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4n[nH]c5ncc(F)cc45)c(F)cc3F)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.34
KAT8 Q9H7Z6 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL16199098 0.90 FLT3 (0.39)
SCHEMBL16199031 0.90 FLT3 (0.39)
SCHEMBL15400717 0.81 HTR3A (0.34) KAT8NPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL15401564 0.80 GRM5 (0.37)
SCHEMBL9970820 0.80 GRM5 (0.37)
SCHEMBL19320343 0.80 SMYD3 (0.38) SMYD3KAT8NPC1ALDH1A1CYP1A2
SCHEMBL15401427 0.80 GSK3A (0.39)
SCHEMBL15400659 0.80 GSK3A (0.39)
SCHEMBL15401470 0.80 SMYD3 (0.38) SMYD3KAT8NPC1ALDH1A1CYP1A2
SCHEMBL15401369 0.80 CDK7 (0.38)

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-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 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-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 SMYD3 3178/4885KAT8 1227/4885NPC1 1578/4885

“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.