SCHEMBL20189267

SCHEMBL20189267

O=C(Nc1cnc(F)cc1N1CCC(F)(F)CC1)c1ccnc(NCC2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 8/20 0.55
GSK3B P49841 6/20 0.55
MAPT P10636 5/20 0.49
IRAK4 Q9NWZ3 4/20 0.40
KCNH2 Q12809 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
KIF18A Q8NI77 2/20 0.38
GRIN2B Q13224 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36

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
SCHEMBL20205214 0.83 GSK3A (0.53) GSK3AGSK3BMAPTIRAK4HRH4
SCHEMBL20189783 0.82 GSK3A (0.60) GSK3AGSK3BMAPTIRAK4KIF18A
SCHEMBL20205045 0.82 GSK3A (0.80) GSK3AGSK3BMAPT
SCHEMBL20205105 0.82 GSK3B (0.69) GSK3AGSK3BMAPT
SCHEMBL20189677 0.81 GSK3B (0.68) GSK3AGSK3BMAPT
SCHEMBL20204949 0.79 GSK3B (0.65) GSK3AGSK3BMAPT
SCHEMBL20189893 0.79 GSK3B (0.64) GSK3AGSK3BMAPT
SCHEMBL20204941 0.77 GSK3B (0.62) GSK3AGSK3BMAPT
SCHEMBL20205097 0.77 IRAK4 (0.46) GSK3AGSK3BMAPTIRAK4HRH4
SCHEMBL20190708 0.74 GSK3A (0.42) GSK3AGSK3BIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
CN-110545817-A GSK-3 inhibitors SQUIBB BRISTOL MYERS COMPANY 2019-12-06 CN disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
EP-3544613-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 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 (2 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-20190315714-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885MAPT 90/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885MAPT 90/4885

“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.