SCHEMBL4937452

SCHEMBL4937452

CN1CCN(C(=O)c2ccc(-c3nc4c(-c5cccc(OCCCO)c5)ccnc4n3OCOCC[Si](C)(C)C)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
MTOR P42345 3/20 0.37
PIK3CA P42336 2/20 0.37
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
ACVR1 Q04771 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
AVPR2 P30518 2/20 0.35
AVPR1A P37288 2/20 0.35
SYK P43405 1/20 0.35
RIPK1 Q13546 1/20 0.34
POLB P06746 2/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GHSR Q92847 1/20 0.34
MGLL Q99685 1/20 0.34
KCNA5 P22460 1/20 0.33

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
SCHEMBL4939677 0.92 NPC1 (0.37) NPC1MTORPIK3CAABL1BCR
SCHEMBL4937180 0.90 NPC1 (0.40) NPC1MTORPIK3CAABL1BCR
SCHEMBL4936841 0.89 MKNK1 (0.44) NPC1MTORPIK3CAABL1BCR
SCHEMBL4938205 0.83 NPC1 (0.40) NPC1MTORPIK3CAABL1BCR
SCHEMBL4939332 0.82 AVPR1A (0.40) NPC1ABL1BCRDRD2DRD3
SCHEMBL4936182 0.82 NPC1 (0.38) NPC1MTORPIK3CAABL1BCR
SCHEMBL14027879 0.81 ABL1 (0.38) NPC1MTORPIK3CAABL1BCR
SCHEMBL4936885 0.81 NPC1 (0.41) NPC1ABL1BCRDRD2DRD3
SCHEMBL14027870 0.81 TLR7 (0.38) NPC1MTORPIK3CAABL1BCR
SCHEMBL14027866 0.80 AVPR2 (0.44) NPC1ABL1BCRAVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US claimed

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-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders GSK3B, GSK3A, PYGB NPC1 2895/4885MTOR 225/4885PIK3CA 351/4885

“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.