SCHEMBL2897485

SCHEMBL2897485

O=C(O)c1cnc(C(F)(F)F)nc1NCc1ncco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.38
AGTR2 P50052 1/20 0.37
FOS P01100 4/20 0.37
JUN P05412 4/20 0.37
NFKB1 P19838 4/20 0.37
NFKB2 Q00653 4/20 0.37
RELA Q04206 4/20 0.37
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
REN P00797 5/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
RIOX2 Q8IUF8 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CNR2 P34972 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32

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
SCHEMBL2900583 0.81 KDM4E (0.51) RENKMT2AKDM4EMEN1CNR2
SCHEMBL2894732 0.79 AGTR2 (0.53) AGTR2ASPHKDM8KMT2AKDM4E
SCHEMBL2902768 0.76 REN (0.51) RENKMT2AMEN1
SCHEMBL15635501 0.76 FOS (0.40) AGTR2FOSJUNNFKB1NFKB2
SCHEMBL2902103 0.73 KDM6B (0.45) FOSJUNNFKB1NFKB2RELA
SCHEMBL2902606 0.71 REN (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL2902975 0.71 FOS (0.47) AGTR2FOSJUNNFKB1NFKB2
SCHEMBL15639612 0.71 CDK2 (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL2900464 0.70 HCAR3 (0.50) KMT2AKDM4EMEN1
SCHEMBL15635761 0.70 TLR7 (0.47) AGTR2FOSJUNNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT CD38 1543/4885AGTR2 5/4885FOS 1058/4885

“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.