SCHEMBL20189677

SCHEMBL20189677

O=C(Nc1cnc(F)cc1N1CCC(F)(F)CC1)c1ccnc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.68
GSK3A P49840 17/20 0.68
JAK2 O60674 2/20 0.46
PIM1 P11309 2/20 0.46
CDK2 P24941 2/20 0.46
CDK5 Q00535 2/20 0.46
PRKCQ Q04759 2/20 0.46
AURKB Q96GD4 2/20 0.46
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
MAPT P10636 4/20 0.44
IGF1R P08069 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
JAK1 P23458 1/20 0.42
BTK Q06187 1/20 0.42
MAPK14 Q16539 1/20 0.42

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 0.94 GSK3B (0.69) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20205045 0.92 GSK3A (0.80) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20189915 0.91 GSK3B (0.66) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20204949 0.91 GSK3B (0.65) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20189893 0.90 GSK3B (0.64) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20204994 0.89 GSK3A (0.54) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20204941 0.88 GSK3B (0.62) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20189783 0.85 GSK3A (0.60) GSK3BGSK3APIM1MAPT
SCHEMBL20189267 0.81 GSK3A (0.55) GSK3BGSK3AMAPT
SCHEMBL20189784 0.81 GSK3B (1.00) 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 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 GSK3B 1/4885GSK3A 2/4885JAK2 597/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885JAK2 597/4885

“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.