SCHEMBL3633229

SCHEMBL3633229

COc1ccc(F)c(-c2cccc(C3(c4ccncc4)NC(N)c4ncccc43)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.46
CTSD P07339 10/20 0.41
KCNH2 Q12809 2/20 0.37
BACE2 Q9Y5Z0 7/20 0.36
KDM1A O60341 3/20 0.36
KDM1B Q8NB78 2/20 0.36
RPS6KA3 P51812 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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 0.86 KDM1A (0.40) BACE1CTSDKCNH2BACE2KDM1A
SCHEMBL3636810 0.85 BACE1 (0.46) BACE1CTSDKCNH2BACE2KDM1A
SCHEMBL3640268 0.84 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL3633790 0.83 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL4398010 0.83 TEK (0.36) BACE1CTSDKCNH2BACE2RPS6KA3
SCHEMBL3635544 0.81 BACE1 (0.53) BACE1CTSDKCNH2BACE2
SCHEMBL3638143 0.80 BACE1 (0.51) BACE1CTSDKCNH2BACE2
SCHEMBL3635663 0.79 BACE1 (0.45) BACE1CTSDKCNH2BACE2
SCHEMBL3636245 0.77 BACE1 (0.47) BACE1KCNH2BACE2
SCHEMBL3769871 0.76 BACE1 (0.37) BACE1CTSDKCNH2BACE2KDM1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324072-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2010-12-23 US claimed
EP-2155749-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2010-02-24 EP claimed
US-7629356-B2 Substituted pyrrolo[3,4-b]pyridinamines and pharmaceutical compositions ASTRAZENECA AB (SE) 2009-12-08 US claimed
US-20090233945-A9 NEW COMPOUNDS 834 ASTRAZENECA AB (SE) 2009-09-17 US claimed
WO-2009022961-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO claimed
US-20080287462-A1 NEW COMPOUNDS 834 ASTRAZENECA AB (SE) 2008-11-20 US claimed
US-20100324072-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2010-12-23 US disclosed
EP-2155749-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-7629356-B2 Substituted pyrrolo[3,4-b]pyridinamines and pharmaceutical compositions ASTRAZENECA AB (SE) 2009-12-08 US disclosed
US-20090233945-A9 NEW COMPOUNDS 834 ASTRAZENECA AB (SE) 2009-09-17 US disclosed
WO-2009022961-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
US-20080287462-A1 NEW COMPOUNDS 834 ASTRAZENECA AB (SE) 2008-11-20 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 (3 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-20100324072-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 44/4885KCNH2 1986/4885
US-20090233945-A9 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 BACE1 4/4885CTSD 1386/4885KCNH2 2728/4885
US-20080287462-A1 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 BACE1 4/4885CTSD 1386/4885KCNH2 2728/4885

“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.