SCHEMBL18125243

SCHEMBL18125243

CC(C)C(=O)Nc1cc(C(=O)Nc2cccnc2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.67
▸ GSK3A P49840 1/20 0.67
▸ CYP2C19 P33261 1/20 0.65
▸ MAPT P10636 8/20 0.64
▸ HTT P42858 1/20 0.62
▸ RAB9A P51151 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ BRAF P15056 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ NAMPT P43490 2/20 0.53
▸ CYP11B1 P15538 1/20 0.53
▸ CYP11B2 P19099 1/20 0.53

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
SCHEMBL19558465 0.89 GSK3B (0.62) GSK3BGSK3ACYP2C19MAPTHTT
SCHEMBL12978293 0.84 HTT (0.83) CYP2C19MAPTHTTRAB9ANPC1
SCHEMBL18125241 0.83 NPC1 (0.67) GSK3BGSK3ACYP2C19MAPTRAB9A
SCHEMBL18125250 0.81 GSK3B (0.65) GSK3BGSK3AMAPTRAB9ANPC1
SCHEMBL16710982 0.81 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16711009 0.80 MAPT (0.64) GSK3BGSK3ACYP2C19MAPTBRAF
SCHEMBL18125242 0.80 CYP11B2 (0.60) GSK3BCYP2C19MAPTHTTRAB9A
SCHEMBL1911526 0.80 HTT (0.67) CYP2C19HTTRAB9ANPC1LMNA
SCHEMBL19728646 0.79 MAPT (0.57) GSK3BCYP2C19MAPTRAB9ANPC1
SCHEMBL16703991 0.79 MAPT (0.79) GSK3BMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885CYP2C19 3645/4885

“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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