SCHEMBL4152701

SCHEMBL4152701

CC1(c2cccc(-c3ccc(O)cc3)c2)CC(=O)NC(N)=N1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.61
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 3/20 0.37
TDP2 O95551 3/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL4142578 0.82 BACE1 (0.65) BACE1KCNH2
SCHEMBL2884765 0.80 BACE1 (0.73) BACE1
SCHEMBL4146207 0.79 BACE1 (0.71) BACE1
SCHEMBL4139642 0.79 BACE1 (0.59) BACE1KCNH2TDP2
SCHEMBL4149749 0.79 BACE1 (0.59) BACE1KCNH2
SCHEMBL4151265 0.78 BACE1 (0.69) BACE1
SCHEMBL2884759 0.78 BACE1 (0.64) BACE1TDP2
SCHEMBL2884762 0.78 BACE1 (0.64) BACE1TDP2
SCHEMBL8262643 0.78 BACE1 (0.64) BACE1TDP2
SCHEMBL4142824 0.77 BACE1 (1.00) BACE1KMT2A

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 3/4885MEN1 2795/4885ESR1 4650/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885MEN1 2918/4885ESR1 4548/4885

“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.