SCHEMBL2078875

SCHEMBL2078875

O=C(Nc1ccccc1N1CCCCC1)c1csc(-c2ccccc2)n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.80
PIM1 P11309 4/20 0.68
PIM3 Q86V86 3/20 0.68
PIM2 Q9P1W9 1/20 0.60

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
SCHEMBL2077745 0.90 CHEK1 (0.78) CHEK1
SCHEMBL2077240 0.89 CHEK1 (1.00) CHEK1
SCHEMBL2080019 0.88 CHEK1 (0.76) CHEK1
SCHEMBL2080016 0.88 CHEK1 (0.76) CHEK1
SCHEMBL2077396 0.87 CHEK1 (0.74) CHEK1PIM1PIM3PIM2
SCHEMBL2079970 0.87 CHEK1 (0.74) CHEK1PIM1PIM3
SCHEMBL14328518 0.87 CHEK1 (0.96) CHEK1
SCHEMBL2079013 0.87 CHEK1 (0.74) CHEK1
SCHEMBL15071640 0.87 CHEK1 (0.84) CHEK1PIM1PIM3
SCHEMBL14207142 0.86 CHEK1 (0.81) CHEK1PIM1PIM3

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 2676/4885PIM1 830/4885PIM3 773/4885

“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.