SCHEMBL4146347

SCHEMBL4146347

Cn1c(N)nc(Cc2cccnc2)cc1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.65
PSD A5PKW4 1/20 0.44
NLRP3 Q96P20 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TBXAS1 P24557 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
SCHEMBL4149124 0.84 BACE1 (0.76) BACE1PSDCYP3A4KDM4E
SCHEMBL4146851 0.80 BACE1 (0.64) BACE1
SCHEMBL4146975 0.79 BACE1 (1.00) BACE1
SCHEMBL4133968 0.78 BACE1 (0.79) BACE1
SCHEMBL4152002 0.77 BACE1 (0.78) BACE1KDM4E
SCHEMBL4150692 0.77 BACE1 (0.57) BACE1KDM4ESMN1; SMN2
SCHEMBL4156056 0.76 BACE1 (0.66) BACE1
SCHEMBL4151718 0.75 BACE1 (0.65) BACE1
SCHEMBL4159227 0.75 BACE1 (0.65) BACE1
SCHEMBL4152976 0.74 BACE1 (0.64) BACE1KDM4ESMN1; SMN2

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-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

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 3/4885PSD 250/4885NLRP3 558/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885PSD 571/4885NLRP3 341/4885

“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.