SCHEMBL16710983

SCHEMBL16710983

O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(NC(=O)C2CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 1.00
▸ GSK3A P49840 12/20 1.00
▸ MAPT P10636 9/20 0.74

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
SCHEMBL16704221 0.90 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16710987 0.87 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16703348 0.87 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16703778 0.86 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16711008 0.85 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16710957 0.85 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16711045 0.85 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16702781 0.85 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16703294 0.84 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16703242 0.82 GSK3B (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066092-B1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
US-9809573-B2 Substituted pyridine derivatives useful as GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-07 — — US disclosed
US-9809573-B2 Substituted pyridine derivatives useful as GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-07 — — US disclosed
US-9809573-B2 Substituted pyridine derivatives useful as GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-07 — — US disclosed
US-20160289210-A1 Substituted Pyridine Derivatives Useful as GSK-3 Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-10-06 — — US disclosed
US-20160289210-A1 Substituted Pyridine Derivatives Useful as GSK-3 Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-10-06 — — US disclosed
US-20160289210-A1 Substituted Pyridine Derivatives Useful as GSK-3 Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-10-06 — — US disclosed
WO-2015069593-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — 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 (1 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-20160289210-A1 Substituted Pyridine Derivatives Useful as GSK-3 Inhibitors GSK3B, GSK3A, GRIN3A GSK3B 1/4885GSK3A 2/4885MAPT 402/4885

“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.

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