SCHEMBL4151718

SCHEMBL4151718

Cc1cccc(-c2cccc(Cc3cc(=O)n(C)c(N)n3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.65
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 1/20 0.42
IDH1 O75874 1/20 0.41

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
SCHEMBL4145966 0.89 BACE1 (0.82) BACE1TLR8
SCHEMBL4156056 0.89 BACE1 (0.66) BACE1
SCHEMBL4159227 0.88 BACE1 (0.65) BACE1
SCHEMBL4139501 0.85 BACE1 (0.62) BACE1
SCHEMBL4137166 0.85 BACE1 (0.62) BACE1
SCHEMBL4134504 0.84 BACE1 (0.81) BACE1
SCHEMBL4142589 0.83 BACE1 (0.69) BACE1
SCHEMBL4146780 0.83 BACE1 (0.60) BACE1IDH1
SCHEMBL4146919 0.83 BACE1 (0.60) BACE1
SCHEMBL4142219 0.82 BACE1 (0.65) 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 9 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
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
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
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US 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
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 3/4885KMT2A 2653/4885TLR8 4136/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885KMT2A 2723/4885TLR8 4240/4885

“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.