SCHEMBL20205067

SCHEMBL20205067

O=C(Nc1cncnc1OCC(F)(F)F)c1ccnc(NCC2CCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 13/20 0.66
GSK3B P49841 13/20 0.66
VCP P55072 1/20 0.37
JAK2 O60674 1/20 0.36
PIM1 P11309 1/20 0.36
CDK2 P24941 1/20 0.36
TYK2 P29597 1/20 0.36
SYK P43405 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCQ Q04759 1/20 0.36
AURKB Q96GD4 1/20 0.36
FLT3 P36888 1/20 0.36
CNR2 P34972 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35

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 0.96 GSK3B (0.68) GSK3AGSK3BVCPJAK2PIM1
SCHEMBL20189806 0.92 GSK3A (0.63) GSK3AGSK3BPIM1FLT3CNR2
SCHEMBL28911703 0.85 GSK3A (0.47) GSK3AGSK3BVCPJAK2PIM1
SCHEMBL20204995 0.83 GSK3B (0.70) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205218 0.83 GSK3B (0.70) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911752 0.81 GSK3A (0.49) GSK3AGSK3BVCPJAK2PIM1
SCHEMBL20204983 0.81 GSK3B (0.64) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20190158 0.80 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20190656 0.80 GSK3B (0.70) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20204989 0.79 GSK3A (0.84) GSK3AGSK3BJAK2PIM1CDK2

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 9 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
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 1/4885VCP 3428/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885VCP 3428/4885

“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.