SCHEMBL17403252

SCHEMBL17403252

Fc1cnc2[nH]nc(-c3ncc(F)c(Cl)n3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 10/20 0.33
GSK3B P49841 10/20 0.33
PIK3CG P48736 7/20 0.33
PIK3CA P42336 3/20 0.33
FLT3 P36888 9/20 0.33
JAK2 O60674 6/20 0.32
SRC P12931 6/20 0.32
PLK1 P53350 5/20 0.32
PRKACA P17612 5/20 0.32
ROCK2 O75116 4/20 0.32
KDR P35968 4/20 0.32
ROCK1 Q13464 4/20 0.32
PIK3CD O00329 4/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CDK2 P24941 1/20 0.32
PIK3CB P42338 2/20 0.31
SYK P43405 1/20 0.31
DAO P14920 1/20 0.31
DDO Q99489 1/20 0.31

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
SCHEMBL9977698 0.83 PIK3CG (0.35) GSK3AGSK3BPIK3CGPIK3CAFLT3
SCHEMBL18352778 0.81 GRM4 (0.37)
SCHEMBL22894098 0.79 GSK3A (0.39) GSK3AGSK3BPIK3CGPIK3CAFLT3
SCHEMBL19250682 0.76 SGK1 (0.33)
SCHEMBL9977736 0.76 GSK3A (0.35) GSK3AGSK3BPIK3CGPIK3CAFLT3
SCHEMBL18682878 0.73 GSK3A (0.41) GSK3AGSK3BPIK3CGPIK3CAFLT3
SCHEMBL24929792 0.72 GSK3A (0.45) GSK3AGSK3BPIK3CGPIK3CAFLT3
SCHEMBL9970800 0.71 PIK3CG (0.32) GSK3AGSK3BPIK3CGPIK3CAFLT3
SCHEMBL19250804 0.70 NOS3 (0.33) PIK3CA
SCHEMBL9977673 0.70 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
WO-2016005330-A1 DIHYDROPYRIDOPYRAZINE-1,8-DIONES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-01-14 WO disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 US disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 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-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE MME, CAPRIN1, XPNPEP1 GSK3A 395/4885GSK3B 304/4885PIK3CG 4536/4885

“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.