SCHEMBL3769871

SCHEMBL3769871

COc1ccc(C2(c3cccc(Br)c3)NC(N)c3ncccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.37
CTSD P07339 4/20 0.36
RXFP1 Q9HBX9 1/20 0.34
KCNH2 Q12809 3/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
EGFR P00533 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
RIPK1 Q13546 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
RORC P51449 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL3777045 0.85 NPSR1 (0.30)
SCHEMBL3359520 0.85 BACE1 (0.36) BACE1CTSDRXFP1KCNH2EGFR
SCHEMBL3635544 0.84 BACE1 (0.53) BACE1CTSDKCNH2BACE2NPC1
SCHEMBL3638143 0.83 BACE1 (0.51) BACE1CTSDKCNH2BACE2
SCHEMBL3243724 0.83 KDM1A (0.40) BACE1CTSDKCNH2BACE2KDM1A
SCHEMBL3640268 0.82 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL3635663 0.82 BACE1 (0.45) BACE1CTSDKCNH2BACE2
SCHEMBL3359617 0.81 CHRNA1 (0.32)
SCHEMBL3359177 0.79 BACE1 (0.35) BACE1KCNH2BACE2
SCHEMBL3360854 0.79

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 13 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 disclosed
US-20100324072-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2010-12-23 US disclosed
US-20100324072-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2010-12-23 US disclosed
US-7629356-B2 Substituted pyrrolo[3,4-b]pyridinamines and pharmaceutical compositions ASTRAZENECA AB (SE) 2009-12-08 US disclosed
US-7629356-B2 Substituted pyrrolo[3,4-b]pyridinamines and pharmaceutical compositions ASTRAZENECA AB (SE) 2009-12-08 US 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
US-20090233945-A9 NEW COMPOUNDS 834 ASTRAZENECA AB (SE) 2009-09-17 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
US-20080287462-A1 NEW COMPOUNDS 834 ASTRAZENECA AB (SE) 2008-11-20 US 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 44/4885RXFP1 4653/4885
US-20090233945-A9 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 BACE1 4/4885CTSD 1386/4885RXFP1 3441/4885
US-20080287462-A1 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 BACE1 4/4885CTSD 1386/4885RXFP1 3441/4885

“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.