SCHEMBL3406192

SCHEMBL3406192

CC(C)(CO)Nc1ccnc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LATS1 O95835 2/20 0.36
LATS2 Q9NRM7 2/20 0.36
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
SORT1 Q99523 1/20 0.35
GRM5 P41594 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IL1B P01584 1/20 0.34
ATM Q13315 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KIF18A Q8NI77 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL17601584 0.80 LMNA (0.43) NUDT1NPSR1GRM5KMT2AATM
SCHEMBL16053888 0.79 NUDT1 (0.37) NUDT1GRM5
SCHEMBL14484619 0.78 NUDT1 (0.35) NUDT1SORT1GRM5ATM
SCHEMBL15901878 0.76 NPSR1 (0.37) NPSR1LATS1LATS2CCNE2CDK4
SCHEMBL30738735 0.75 NUDT1 (0.49) NUDT1CDK2GRM5IL1B
SCHEMBL3450728 0.74 NUDT1 (0.65) NUDT1
SCHEMBL14484710 0.73 AAK1 (0.38) NUDT1SORT1GRM5ATM
SCHEMBL14484765 0.73 AAK1 (0.38) NUDT1SORT1GRM5ATM
SCHEMBL14883413 0.73 AAK1 (0.38) NUDT1SORT1GRM5ATM
SCHEMBL14555104 0.72 SORT1 (0.38) SORT1GRM5ATM

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-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB NUDT1 2182/4885NPSR1 2307/4885LATS1 3063/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB NUDT1 2196/4885NPSR1 2513/4885LATS1 3080/4885

“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.