SCHEMBL20189666

SCHEMBL20189666

Nc1nccc(C(=O)Nc2cnccc2N2CCC(F)(F)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 1.00
GSK3B P49841 6/20 1.00
MAPT P10636 6/20 0.58
PIM1 P11309 6/20 0.50
PIM3 Q86V86 6/20 0.50
PIM2 Q9P1W9 4/20 0.50
ATR Q13535 4/20 0.48

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
SCHEMBL20189784 0.83 GSK3B (1.00) GSK3AGSK3BMAPTPIM1
SCHEMBL16703970 0.78 GSK3A (0.67) GSK3AGSK3BMAPTPIM1PIM3
SCHEMBL18107516 0.76 GSK3A (0.66) GSK3AGSK3BMAPTPIM1PIM3
SCHEMBL20189783 0.75 GSK3A (0.60) GSK3AGSK3BMAPTPIM1PIM3
SCHEMBL16703296 0.74 GSK3B (0.67) GSK3AGSK3BMAPTPIM1PIM3
SCHEMBL20189546 0.73 GSK3A (0.58) GSK3AGSK3BMAPTPIM1PIM3
SCHEMBL16704121 0.73 GSK3B (1.00) GSK3AGSK3BMAPT
SCHEMBL20199477 0.73 GSK3A (1.00) GSK3AGSK3BMAPT
SCHEMBL16704175 0.73 GSK3B (1.00) GSK3AGSK3BMAPT
SCHEMBL20205105 0.72 GSK3B (0.69) GSK3AGSK3BMAPTPIM1

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