SCHEMBL15401564

SCHEMBL15401564

O=C(N[C@@H]1CCC[C@H](Nc2nc(-c3n[nH]c4ncc(F)cc34)c(F)cc2F)C1)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
CDK7 P50613 1/20 0.36
BTK Q06187 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
SCHEMBL9970820 1.00 GRM5 (0.37) GRM5CDK7BTK
SCHEMBL9977728 0.91 GSK3A (0.39) GRM5
SCHEMBL15399800 0.91 GSK3A (0.39) GRM5
SCHEMBL16199061 0.91 GSK3A (0.39) GRM5
SCHEMBL9967246 0.88 CDK7 (0.43) CDK7
SCHEMBL15401369 0.87 CDK7 (0.38) GRM5CDK7
SCHEMBL9970812 0.87 CDK7 (0.38) GRM5CDK7
SCHEMBL9970823 0.81 BTK (0.34) GRM5CDK7BTK
SCHEMBL15401427 0.80 GSK3A (0.39)
SCHEMBL15400659 0.80 GSK3A (0.39)

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 GRM5 4805/4885CDK7 961/4885BTK 569/4885

“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.