SCHEMBL13201331

SCHEMBL13201331

CN1CCN(c2ncc(-c3cc4ccccc4s3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.57
HTR3A P46098 4/20 0.51
HRH4 Q9H3N8 4/20 0.51
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
APP P05067 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
FYN P06241 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
SCHEMBL25138085 0.84 TNKS (0.46) TNKSHTR3AHRH4ALDH1A1POLB
SCHEMBL3406553 0.84 PRKDC (0.52) ALDH1A1MAPK1KMT2AKDM4EMEN1
SCHEMBL15515174 0.84 PRKDC (0.52) ALDH1A1MAPK1KMT2AKDM4EMEN1
SCHEMBL2383211 0.81 HRH4 (0.52) TNKSHTR3AHRH4ALDH1A1POLB
SCHEMBL9147047 0.75 HTR3A (0.56) TNKSHTR3AHRH4MAPK1KMT2A
SCHEMBL5230511 0.75 CNR2 (0.47) TNKSHTR3AAPPKDM4ECNR1
SCHEMBL16625344 0.73 TNKS (1.00) TNKSHTR3AHRH4ALDH1A1KDM4E
SCHEMBL2895959 0.73 CHRM2 (0.41) HTR3AAPPFYN
SCHEMBL25138087 0.71 TNKS (0.48) TNKSHTR3AHRH4ALDH1A1POLB
SCHEMBL14463302 0.71 APP (0.56) APPFYN

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-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
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 TNKS 4652/4885HTR3A 1067/4885HRH4 3114/4885

“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.