SCHEMBL4134312

SCHEMBL4134312

CC1(c2cccnc2)CC(=O)NC(N)=N1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.71
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
CYP19A1 P11511 1/20 0.35
AR P10275 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL4142824 0.83 BACE1 (1.00) BACE1BACE2CYP19A1
SCHEMBL2884765 0.78 BACE1 (0.73) BACE1BACE2CYP19A1
SCHEMBL4151265 0.76 BACE1 (0.69) BACE1HCAR2BACE2
SCHEMBL2884759 0.76 BACE1 (0.64) BACE1
SCHEMBL4151589 0.73 BACE1 (0.69) BACE1BACE2CYP19A1
SCHEMBL15042209 0.72 AR (0.43) BACE1MAPTTSHRHSD17B10HCAR2
SCHEMBL4146354 0.72 BACE1 (0.71) BACE1BACE2
SCHEMBL4142578 0.70 BACE1 (0.65) BACE1BACE2
SCHEMBL2283567 0.70 AR (0.41) BACE1MAPTTSHRHSD17B10HCAR2
SCHEMBL4139642 0.70 BACE1 (0.59) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
CN-101084199-A Substituted amino-compounds and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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 (2 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885MAPT 5/4885TSHR 4794/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885MAPT 5/4885TSHR 4479/4885

“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.