SCHEMBL20204983

SCHEMBL20204983

CC1(CNc2nccc(C(=O)Nc3cncnc3OCC(F)(F)F)n2)COC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.64
GSK3A P49840 14/20 0.64
CNR2 P34972 4/20 0.39
JAK2 O60674 1/20 0.35
PIM1 P11309 1/20 0.35
CDK2 P24941 1/20 0.35
TYK2 P29597 1/20 0.35
SYK P43405 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKCQ Q04759 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPT P10636 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
SCHEMBL20205218 0.86 GSK3B (0.70) GSK3BGSK3ACNR2JAK2PIM1
SCHEMBL28911715 0.85 GSK3A (0.46) GSK3BGSK3ACNR2JAK2PIM1
SCHEMBL20205226 0.82 GSK3B (0.68) GSK3BGSK3ACNR2JAK2PIM1
SCHEMBL20189806 0.82 GSK3A (0.63) GSK3BGSK3ACNR2PIM1
SCHEMBL20205067 0.81 GSK3A (0.66) GSK3BGSK3ACNR2JAK2PIM1
SCHEMBL20205072 0.80 GSK3A (0.83) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20205156 0.79 GSK3B (0.63) GSK3BGSK3ACNR2JAK2PIM1
SCHEMBL20190158 0.78 GSK3A (1.00) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20190656 0.78 GSK3B (0.70) GSK3BGSK3ACNR2JAK2PIM1
SCHEMBL20205079 0.78 GSK3A (0.70) GSK3BGSK3AJAK2PIM1CDK2

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 GSK3B 1/4885GSK3A 2/4885CNR2 3745/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CNR2 3745/4885

“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.