SCHEMBL3773671

SCHEMBL3773671

NC1NC(c2ccncc2)(c2cccc(Br)c2)c2ncccc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 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
SCHEMBL3782721 0.80 CHRNA1 (0.30) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3356799 0.78 CTSD (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL930738 0.70 BACE1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4386451 0.69 KDM1A (0.39)
SCHEMBL930771 0.68 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3769871 0.68 BACE1 (0.37)
SCHEMBL3359617 0.68 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3357636 0.67 BACE1 (0.36)
SCHEMBL3773668 0.66 BACE1 (0.46)
SCHEMBL931080 0.65

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
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-20090233945-A9 NEW COMPOUNDS 834 ASTRAZENECA AB (SE) 2009-09-17 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 CHRNA1 1583/4885CHRNG 3309/4885CHRNB1 1160/4885
US-20090233945-A9 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 CHRNA1 120/4885CHRNG 330/4885CHRNB1 135/4885
US-20080287462-A1 NEW COMPOUNDS 834 MAPT, PSEN1, PSEN2 CHRNA1 120/4885CHRNG 330/4885CHRNB1 135/4885

“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.