SCHEMBL3248418

SCHEMBL3248418

COc1cccc(C2(c3cc(C)nc(C)c3)NC(N)c3ncccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
KCNH2 Q12809 2/20 0.35
OPRD1 P41143 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
AURKA O14965 1/20 0.34
PDE10A Q9Y233 3/20 0.33
FFAR1 O14842 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
BACE1 P56817 1/20 0.33
GCK P35557 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
SCHEMBL3243724 0.87 KDM1A (0.40) KDM1AKCNH2OPRD1CHRNA1CHRNG
SCHEMBL3249132 0.82 KDM1A (0.38) KDM1AKCNH2OPRD1CHRNA1CHRNG
SCHEMBL3358047 0.81 BACE1 (0.46) KCNH2BACE1
SCHEMBL3769871 0.79 BACE1 (0.37) KDM1AKCNH2BACE1NPC1RAB9A
SCHEMBL3245524 0.78 HCAR2 (0.31) BACE1
SCHEMBL3245129 0.78 KDM1A (0.31) KDM1A
SCHEMBL3244330 0.78 BACE1 (0.35) BACE1
SCHEMBL3360124 0.76
SCHEMBL3635544 0.76 BACE1 (0.53) KCNH2BACE1NPC1RAB9A
SCHEMBL3357627 0.75 BACE1 (0.42) KCNH2DYRK1ABACE1

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-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 KDM1A 4123/4885KCNH2 4727/4885OPRD1 1390/4885
US-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 KDM1A 4044/4885KCNH2 4652/4885OPRD1 1482/4885

“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.