SCHEMBL20189893

SCHEMBL20189893

N#Cc1ccc(Nc2nccc(C(=O)Nc3cnc(F)cc3N3CCC(F)(F)CC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.64
GSK3A P49840 15/20 0.64
MAPT P10636 5/20 0.55
JAK2 O60674 2/20 0.55
PIM1 P11309 2/20 0.55
CDK2 P24941 2/20 0.55
CDK5 Q00535 2/20 0.55
PRKCQ Q04759 2/20 0.55
AURKB Q96GD4 2/20 0.55
IGF1R P08069 1/20 0.55
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
JAK1 P23458 1/20 0.55
BTK Q06187 1/20 0.55
MAPK14 Q16539 1/20 0.55
TYK2 P29597 1/20 0.44
SYK P43405 1/20 0.44
GPR6 P46095 2/20 0.41

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
SCHEMBL20205105 0.91 GSK3B (0.69) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189914 0.90 JAK2 (0.55) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189677 0.90 GSK3B (0.68) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205045 0.89 GSK3A (0.80) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20204949 0.87 GSK3B (0.65) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20204941 0.85 GSK3B (0.62) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189915 0.81 GSK3B (0.66) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189783 0.80 GSK3A (0.60) GSK3BGSK3AMAPTPIM1
SCHEMBL20204994 0.79 GSK3A (0.54) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189267 0.79 GSK3A (0.55) GSK3BGSK3AMAPT

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
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

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 2/4885MAPT 90/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885MAPT 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.