SCHEMBL16574342

SCHEMBL16574342

CNc1nc(NC)nc(NCNc2nc(NC)nc(NC)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 2/20 0.39
PDE4A P27815 7/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL17371044 0.92 CA1 (0.40) CA1CA2CA9LMNAPDE4A
SCHEMBL33146 0.80 PDE4A (0.48) CA1CA2CA9LMNAPDE4A
SCHEMBL17371046 0.80 CA1 (0.44) CA1CA2CA9LMNAPDE4A
SCHEMBL8166873 0.80 LMNA (0.61) LMNAPDE4ACYP1A2CYP2C19GAA
SCHEMBL14869406 0.80 LMNA (0.61) LMNAPDE4ACYP1A2CYP2C19GAA
SCHEMBL21325722 0.79 CA1 (0.35) CA1CA2CA9LMNAGAA
SCHEMBL13765582 0.78 IDH1 (0.53) LMNAGAAL3MBTL1TDP1BCHE
SCHEMBL19670086 0.78 CA1 (0.39) CA1CA2CA9LMNAPDE4A
SCHEMBL13752164 0.78 CA1 (0.43) CA1CA2CA9CYP1A2CYP2C19
SCHEMBL27871771 0.77 PDE4A (0.46) CA1CA2CA9LMNAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399611-B2 Method of acetalizing an aldehyde AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-26 US disclosed
US-9399611-B2 Method of acetalizing an aldehyde AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-26 US disclosed
US-20150080612-A1 METHOD OF ACETALIZING AN ALDEHYDE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-03-19 US disclosed
US-20150080612-A1 METHOD OF ACETALIZING AN ALDEHYDE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-03-19 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-20150080612-A1 METHOD OF ACETALIZING AN ALDEHYDE ALDOA, ADH1A, ALDH2 CA1 401/4885CA2 1892/4885CA9 254/4885

“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.