SCHEMBL3633227

SCHEMBL3633227

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.58
KCNH2 Q12809 7/20 0.51
BACE2 Q9Y5Z0 10/20 0.48
CTSD P07339 11/20 0.47

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
SCHEMBL2087395 0.88 BACE1 (0.60) BACE1KCNH2BACE2CTSD
SCHEMBL3243720 0.85 BACE1 (0.48) BACE1KCNH2BACE2CTSD
SCHEMBL3636805 0.84 BACE1 (0.57) BACE1KCNH2BACE2CTSD
SCHEMBL3640265 0.84 BACE1 (0.65) BACE1KCNH2BACE2CTSD
SCHEMBL3633787 0.82 BACE1 (0.61) BACE1KCNH2BACE2CTSD
SCHEMBL4398008 0.82 BACE1 (0.43) BACE1KCNH2BACE2CTSD
SCHEMBL3635539 0.80 BACE1 (0.60) BACE1KCNH2BACE2CTSD
SCHEMBL3638139 0.79 BACE1 (0.69) BACE1KCNH2BACE2CTSD
SCHEMBL3635662 0.78 BACE1 (0.58) BACE1KCNH2BACE2CTSD
SCHEMBL2086229 0.78 BACE1 (0.51) BACE1KCNH2BACE2CTSD

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 1/4885KCNH2 1986/4885BACE2 2/4885
US-20090233945-A9 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 BACE1 4/4885KCNH2 2728/4885BACE2 17/4885
US-20080287462-A1 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 BACE1 4/4885KCNH2 2728/4885BACE2 17/4885

“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.