SCHEMBL21657301

SCHEMBL21657301

CCOC(=O)CCOCCOCCOCC(=O)N1CCC[C@@H](Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.47
▸ GSK3B P49841 4/20 0.47
▸ FLT3 P36888 4/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ SRC P12931 2/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL23308094 0.93 GSK3A (0.51) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL21657296 0.93 GSK3A (0.51) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL21657304 0.90 GSK3A (0.52) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL23308123 0.90 GSK3A (0.51) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL23308106 0.85 GSK3A (0.52) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL21657298 0.83 GSK3A (0.53) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL23308117 0.82 GSK3A (0.57) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL21657303 0.82 GSK3A (0.59) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL10304238 0.80 GSK3A (0.45) GSK3AGSK3B
SCHEMBL10303474 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2021-04-29 — — US disclosed
WO-2020023813-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. (US) 2020-01-30 — — WO 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-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION PIR, PNPO, IDO1 GSK3A 1593/4885GSK3B 901/4885FLT3 1210/4885

“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.

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