SCHEMBL20204940

SCHEMBL20204940

O=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(NC2CCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.52
GSK3A P49840 10/20 0.52
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.38
MAPK8 P45983 1/20 0.37
S1PR1 P21453 1/20 0.37
CNR2 P34972 1/20 0.37
WDR5 P61964 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ULK1 O75385 1/20 0.36
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL20205058 0.87 GSK3B (0.69) GSK3BGSK3AMAPTAURKB
SCHEMBL20205202 0.85 GSK3B (0.69) GSK3BGSK3AMAPTAURKB
SCHEMBL20205198 0.84 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL20204944 0.84 GSK3B (0.55) GSK3BGSK3AMAPTAURKB
SCHEMBL28911788 0.84 GSK3A (0.38) GSK3BGSK3AMAPK8S1PR1AURKA
SCHEMBL20205158 0.83 GSK3B (0.71) GSK3BGSK3AMAPTAURKB
SCHEMBL20189844 0.81 GSK3B (0.52) GSK3BGSK3AMAPTCNR2
SCHEMBL20205049 0.81 GSK3A (0.78) GSK3BGSK3AMAPTAURKB
SCHEMBL20204955 0.81 GSK3A (0.67) GSK3BGSK3AMAPTAURKB
SCHEMBL20189758 0.79 GSK3B (0.66) 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
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 2/4885PTGS1 3945/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885PTGS1 3945/4885

“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.