SCHEMBL16711031

SCHEMBL16711031

O=C(Nc1cnccc1OCC1CC1)c1ccnc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.72
▸ GSK3A P49840 11/20 0.72
▸ MAPT P10636 5/20 0.56
▸ PDE4A P27815 2/20 0.48
▸ PDE4B Q07343 2/20 0.48
▸ PDE4C Q08493 2/20 0.48
▸ PDE4D Q08499 2/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ PIM3 Q86V86 2/20 0.48
▸ PIM2 Q9P1W9 2/20 0.48
▸ PIM1 P11309 1/20 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
SCHEMBL16702962 0.85 GSK3B (0.67) GSK3BGSK3AMAPT
SCHEMBL16704088 0.84 GSK3B (0.67) GSK3BGSK3AMAPT
SCHEMBL16710987 0.84 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL18126649 0.83 GSK3B (0.58) GSK3BGSK3AMAPTPIM3PIM2
SCHEMBL16704213 0.82 GSK3B (0.65) GSK3BGSK3AMAPTPDE4APDE4B
SCHEMBL16702397 0.82 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL16703867 0.82 GSK3B (0.67) GSK3BGSK3AMAPT
SCHEMBL16701998 0.77 GSK3B (0.52) GSK3BGSK3AMAPT
SCHEMBL19417885 0.76 GSK3B (0.63) GSK3BGSK3AMAPT
SCHEMBL18107534 0.74 GSK3B (0.65) 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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