SCHEMBL20189914

SCHEMBL20189914

N#Cc1ccc(Nc2nccc(C(=O)Nc3cnc(F)cc3N3CCOCC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.55
GSK3A P49840 8/20 0.55
GSK3B P49841 8/20 0.55
JAK1 P23458 4/20 0.55
CDK2 P24941 3/20 0.55
MAPT P10636 2/20 0.55
PIM1 P11309 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
BTK Q06187 1/20 0.55
MAPK14 Q16539 1/20 0.55
JAK3 P52333 5/20 0.45
TYK2 P29597 2/20 0.44
SYK P43405 1/20 0.44
PPARG P37231 2/20 0.43
BMPR1B O00238 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
SCHEMBL20189893 0.90 GSK3B (0.64) JAK2GSK3AGSK3BJAK1CDK2
SCHEMBL20204994 0.90 GSK3A (0.54) JAK2GSK3AGSK3BCDK2MAPT
SCHEMBL29939489 0.86 GSK3A (0.49) JAK2GSK3AGSK3BCDK2MAPT
SCHEMBL20205219 0.86 GSK3A (0.49) JAK2GSK3AGSK3BCDK2MAPT
SCHEMBL20205183 0.84 GSK3A (0.53) JAK2GSK3AGSK3BCDK2BTK
SCHEMBL20205173 0.81 MAPK1 (0.52) GSK3AGSK3BMAPTMAPK9MAPK10
SCHEMBL29939117 0.81 MAPK1 (0.52) GSK3AGSK3BMAPTMAPK9MAPK10
SCHEMBL29939856 0.81 TSHR (0.51) GSK3AGSK3BMAPTALOX15TSHR
SCHEMBL20204972 0.81 TSHR (0.51) GSK3AGSK3BMAPTALOX15TSHR
SCHEMBL20204946 0.80 IRAK4 (0.45) GSK3AGSK3BMAPTALOX15TSHR

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 11 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
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 JAK2 597/4885GSK3A 2/4885GSK3B 1/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP JAK2 597/4885GSK3A 2/4885GSK3B 1/4885

“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.