SCHEMBL13201335

SCHEMBL13201335

Nc1ccc(-c2cc3ccccc3s2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.64
APP P05067 2/20 0.58
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP19A1 P11511 1/20 0.48
DCK P27707 1/20 0.45
IKBKB O14920 2/20 0.45
FYN P06241 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL4821816 0.81 KDM1A (0.57) KDM1AAPPCYP11B1CYP11B2CYP19A1
SCHEMBL28911362 0.81 KDM1A (0.57) KDM1AAPPCYP11B1CYP11B2CYP19A1
SCHEMBL13017787 0.81 KDM1A (0.57) KDM1AAPPCYP11B1CYP11B2CYP19A1
SCHEMBL4014804 0.81 KDM1A (0.57) KDM1AAPPCYP11B1CYP11B2CYP19A1
SCHEMBL4659871 0.79 KDM1A (0.56) KDM1AAPPCYP11B1CYP11B2CYP19A1
SCHEMBL20924008 0.79 KDM1A (0.70) KDM1AAPPCYP11B1CYP11B2CYP19A1
SCHEMBL526787 0.79 KDM1A (1.00) KDM1ACYP11B1CYP11B2
SCHEMBL15136122 0.79 KDM1A (1.00) KDM1ACYP11B1CYP11B2
SCHEMBL15136831 0.79 KDM1A (1.00) KDM1ACYP11B1CYP11B2
SCHEMBL12376481 0.78 KDM1A (0.54) KDM1AAPPCYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
EP-1539151-B1 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS INC (US) 2009-03-18 EP disclosed
US-7498349-B2 Biaryl compounds having anti-infective activity GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients PSEN1, APP, PSEN2 KDM1A 3087/4885APP 2/4885CYP11B1 1155/4885

“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.