SCHEMBL20189806

SCHEMBL20189806

O=C(Nc1cncnc1OCC(F)(F)F)c1ccnc(NCC2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.63
GSK3B P49841 7/20 0.63
GRM4 Q14833 2/20 0.40
FLT3 P36888 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CNR2 P34972 8/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL20205226 0.94 GSK3B (0.68) GSK3AGSK3BFLT3PIM1CNR2
SCHEMBL20205067 0.92 GSK3A (0.66) GSK3AGSK3BFLT3PIM1CNR2
SCHEMBL28911737 0.86 GSK3A (0.46) GSK3AGSK3BGRM4PIM1PIM3
SCHEMBL20204983 0.82 GSK3B (0.64) GSK3AGSK3BPIM1CNR2
SCHEMBL20204995 0.81 GSK3B (0.70) GSK3AGSK3BPIM1
SCHEMBL20205218 0.81 GSK3B (0.70) GSK3AGSK3BPIM1CNR2
SCHEMBL29938952 0.80 GSK3A (0.44) GSK3AGSK3BCYP1A2CYP2C9CYP3A4
SCHEMBL20205068 0.80 GSK3A (0.44) GSK3AGSK3BCYP1A2CYP2C9CYP3A4
SCHEMBL28911752 0.79 GSK3A (0.49) GSK3AGSK3BPIM1IRAK4
SCHEMBL20190158 0.78 GSK3A (1.00) GSK3AGSK3BPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
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 1/4885GRM4 3979/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885GRM4 3979/4885

“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.