SCHEMBL3248669

SCHEMBL3248669

CC(C)COc1cccc(C2(c3ccncc3)NC(N)c3ncccc32)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 1/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 1/20 0.31
GRM2 Q14416 1/20 0.31
NAMPT P43490 1/20 0.31
GAA P10253 1/20 0.31
BRAF P15056 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL3248214 0.90 GALR3 (0.40) PDK2
SCHEMBL3246191 0.88 BACE1 (0.41) PDK2
SCHEMBL3243724 0.86 KDM1A (0.40) ALDH1A1
SCHEMBL3240569 0.84 BACE1 (0.32)
SCHEMBL3242194 0.82 ADAM17 (0.36) PDK2SIRT2
SCHEMBL3243582 0.82 PDK2 (0.35) PDK2
SCHEMBL3239158 0.82 KDM1A (0.32)
SCHEMBL3243471 0.80 CYP2D6 (0.34) PDK2GRM2
SCHEMBL3777045 0.79 NPSR1 (0.30)
SCHEMBL3245524 0.76 HCAR2 (0.31)

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
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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 (1 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 AAK1 1787/4885CYP3A4 4679/4885ALDH1A1 4121/4885

“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.