Pittsburgh Compound B Unlabelled

Pittsburgh Compound B Unlabelled

SCHEMBL2055283

[3H]C([3H])([3H])Nc1ccc(-c2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 18/20 0.82
SULT1A1 P50225 4/20 0.82
MAPT P10636 2/20 0.82
SNCA P37840 1/20 0.59

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
Pittsburgh Compound B SCHEMBL29360193 0.90 APP (1.00) APPSULT1A1MAPTSNCA
Pittsburgh Compound B Unlabelled SCHEMBL29409766 0.90 APP (1.00) APPSULT1A1MAPTSNCA
Pittsburgh Compound B Unlabelled SCHEMBL912744 0.90 APP (1.00) APPSULT1A1MAPTSNCA
Pittsburgh Compound B SCHEMBL2055285 0.90 APP (1.00) APPSULT1A1MAPTSNCA
SCHEMBL12421903 0.83 APP (0.85) APPSULT1A1MAPTSNCA
SCHEMBL5423269 0.82 APP (0.81) APPSULT1A1MAPT
SCHEMBL2055208 0.82 APP (0.84) APPSULT1A1MAPT
SCHEMBL19372620 0.81 APP (0.73) APPSULT1A1MAPTSNCA
SCHEMBL19116022 0.81 APP (0.69) APPSULT1A1MAPT
SCHEMBL2922465 0.80 APP (0.72) APPSULT1A1MAPTSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 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 (6 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-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 APP 1/4885SULT1A1 439/4885MAPT 2/4885
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles PSEN1, PSEN2, APP APP 3/4885SULT1A1 448/4885MAPT 6/4885
US-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives APP, PSEN1, PSEN2 APP 1/4885SULT1A1 1329/4885MAPT 4/4885
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 APP, IDO2, IDO1 APP 1/4885SULT1A1 1289/4885MAPT 7/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 APP 2/4885SULT1A1 427/4885MAPT 1/4885
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients PSEN1, APP, PSEN2 APP 2/4885SULT1A1 189/4885MAPT 4/4885

“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.