SCHEMBL3243582

SCHEMBL3243582

NC1NC(c2ccncc2)(c2cccc(OCC3CCC3)c2)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.35
ADAM17 P78536 1/20 0.35
SLC2A1 P11166 1/20 0.35
BACE1 P56817 2/20 0.34
IGF1R P08069 2/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL3242194 0.98 ADAM17 (0.36) PDK2ADAM17SLC2A1BACE1IGF1R
SCHEMBL3243561 0.87 PDK2 (0.38) PDK2ADAM17BACE1
SCHEMBL3239158 0.86 KDM1A (0.32) BACE1
SCHEMBL3243471 0.84 CYP2D6 (0.34) PDK2IGF1R
SCHEMBL3243724 0.83 KDM1A (0.40) BACE1
SCHEMBL3248669 0.82 AAK1 (0.32) PDK2
SCHEMBL3240569 0.82 BACE1 (0.32) BACE1
SCHEMBL3248214 0.81 GALR3 (0.40) PDK2
SCHEMBL3777045 0.77 NPSR1 (0.30)
SCHEMBL3245524 0.74 HCAR2 (0.31) 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 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 PDK2 1595/4885ADAM17 2206/4885SLC2A1 3734/4885

“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.