SCHEMBL19928487

SCHEMBL19928487

Cc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 11/20 0.53
GSK3B P49841 11/20 0.53
FLT3 P36888 11/20 0.53
PIK3CG P48736 9/20 0.53
SRC P12931 6/20 0.53
JAK2 O60674 6/20 0.53
PIK3CD O00329 5/20 0.53
PRKACA P17612 5/20 0.53
PLK1 P53350 5/20 0.53
ROCK2 O75116 4/20 0.53
KDR P35968 4/20 0.53
ROCK1 Q13464 4/20 0.53
IRAK4 Q9NWZ3 2/20 0.53
CDK2 P24941 1/20 0.53
PIK3CB P42338 2/20 0.52
PIK3CA P42336 3/20 0.49
SYK P43405 1/20 0.48

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
SCHEMBL18739909 0.89 GSK3A (0.43) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL22837806 0.89 GSK3A (0.47) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL15723373 0.86 JAK2 (0.50) JAK2
SCHEMBL18629307 0.84 GSK3A (0.59) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL10304030 0.83 GSK3A (0.53) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL24059791 0.82 GSK3A (0.48) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL14237803 0.81 RPS6KA5 (0.46) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL24059794 0.80 GSK3A (0.51) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL23953127 0.79 GSK3A (0.55) GSK3AGSK3BFLT3PIK3CGSRC
SCHEMBL18682874 0.76 GSK3A (0.57) GSK3AGSK3BFLT3PIK3CGSRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
US-10875855-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-06-07 US disclosed
US-9908878-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-06 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 (3 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-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 GSK3A 1026/4885GSK3B 1005/4885FLT3 1071/4885
US-10875855-B2 Inhibitors of influenza viruses replication ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885FLT3 845/4885
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885FLT3 845/4885

“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.