SCHEMBL2080112

SCHEMBL2080112

NC(=O)C1CCN(c2ncccc2N)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
RECQL P46063 1/20 0.67
MALT1 Q9UDY8 4/20 0.56
NEK2 P51955 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PDE10A Q9Y233 2/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.48
AKT2 P31751 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 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
SCHEMBL4524152 0.88 NEK2 (0.67) KDM4ERECQLMALT1NEK2KMT2A
SCHEMBL14335272 0.85 MALT1 (0.61) KDM4ERECQLMALT1NEK2KMT2A
SCHEMBL3436393 0.84 KDM4E (0.66) KDM4ERECQLMALT1NEK2PDE10A
SCHEMBL4533155 0.83 MALT1 (0.54) KDM4ERECQLMALT1NEK2SMN1; SMN2
SCHEMBL14334180 0.83 MALT1 (0.52) KDM4ERECQLMALT1NEK2PDE10A
SCHEMBL14334510 0.83 MALT1 (0.60) KDM4ERECQLMALT1NEK2PDE10A
SCHEMBL3435116 0.81 GRIN2D (0.51) KDM4ERECQLMALT1NEK2KMT2A
SCHEMBL3435694 0.81 GRIN2D (0.51) KDM4ERECQLMALT1NEK2PDE10A
SCHEMBL3435703 0.80 MAPT (0.57) KDM4EMALT1SMN1; SMN2TSHRKMT2A
SCHEMBL2078675 0.80 MAPT (0.72) KDM4ERECQLMALT1SMN1; SMN2ALDH1A1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
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
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN 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 KDM4E 1834/4885RECQL 4487/4885MALT1 1638/4885

“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.