SCHEMBL2080467

SCHEMBL2080467

CN1CCN(c2cccc(C(N)=O)c2NC(=O)c2csc(-c3ccccc3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.55
IRAK4 Q9NWZ3 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.46
ATM Q13315 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL2078193 0.92 CHEK1 (0.56) CHEK1IRAK4TDP1MAPTATM
SCHEMBL4358006 0.80 IRAK4 (0.61) CHEK1IRAK4TDP1MAPTATM
SCHEMBL2077220 0.76 CHEK1 (0.68) CHEK1
Hydrochloric Acid SCHEMBL2080495 0.75 CHEK1 (0.60) CHEK1
SCHEMBL18427815 0.75 TDP1 (0.65) CHEK1IRAK4TDP1MAPTATM
SCHEMBL4357764 0.74 IRAK4 (0.58) CHEK1IRAK4MAPTATMNPSR1
SCHEMBL7026213 0.73 HTR3E (0.49) CHEK1IRAK4TDP1HDAC1HDAC8
SCHEMBL7026219 0.73 HTR3E (0.49) CHEK1IRAK4TDP1HDAC1HDAC8
SCHEMBL2079970 0.73 CHEK1 (0.74) CHEK1
SCHEMBL4349506 0.73 IRAK4 (0.61) CHEK1IRAK4MAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CHEK1 2676/4885IRAK4 199/4885TDP1 1881/4885

“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.