SCHEMBL4143571

SCHEMBL4143571

CN1C(=O)CC(c2ccccc2)N=C1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
GSK3B P49841 6/20 0.47
NOS3 P29474 3/20 0.44
BACE1 P56817 2/20 0.43
BRD4 O60885 4/20 0.42
NOS2 P35228 2/20 0.41
CYP19A1 P11511 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL12207611 0.86 CYP19A1 (0.40) TSHRKMT2AGSK3BBACE1CYP19A1
SCHEMBL4503689 0.80 TAAR1 (0.47) TSHRKMT2ABACE1CYP19A1TAAR1
SCHEMBL13712700 0.77 TSHR (0.43) TSHRKMT2ABACE1BRD4CYP19A1
SCHEMBL4148110 0.76 GSK3B (0.48) TSHRKMT2AGSK3B
Bromide SCHEMBL11626764 0.75 MEN1 (0.44) TSHRKMT2ANOS3BRD4NOS2
SCHEMBL7857600 0.70 CYP19A1 (0.37) TSHRKMT2ANOS3BACE1NOS2
SCHEMBL14959525 0.70 BRD4 (0.67) TSHRKMT2ABRD4
SCHEMBL11182534 0.68 ALPL (0.56) TSHRKMT2ANOS3NOS2
Phensuximide SCHEMBL35334 0.67 KMT2A (1.00) TSHRKMT2ABRD4CYP19A1
Phensuximide SCHEMBL35333 0.67 KMT2A (1.00) TSHRKMT2ABRD4CYP19A1

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
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US claimed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN claimed
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-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084199-A Substituted amino-compounds 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 TSHR 4794/4885KMT2A 2653/4885GSK3B 124/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 TSHR 4479/4885KMT2A 2723/4885GSK3B 649/4885

“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.