SCHEMBL10089945

SCHEMBL10089945

Cc1cc(C#N)cc(C(=O)NCc2cccc(OC(F)F)c2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.35
SLC2A1 P11166 4/20 0.35
SLC2A3 P11169 4/20 0.35
SLC2A4 P14672 4/20 0.35
HDAC6 Q9UBN7 2/20 0.34
GPR6 P46095 1/20 0.34
MMP13 P45452 3/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNB1 Q14721 1/20 0.33
SLC2A2 P11168 1/20 0.33
ELANE P08246 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
RIPK1 Q13546 1/20 0.32
CCR1 P32246 1/20 0.32
GLS O94925 1/20 0.32
CNR1 P21554 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
SCHEMBL10089935 0.95 SLC2A1 (0.36) SLC2A1SLC2A3SLC2A4GPR6MMP13
SCHEMBL10089953 0.95 RIPK1 (0.37) SLC2A1SLC2A3SLC2A4PPARGPPARD
SCHEMBL10089908 0.94 KLKB1 (0.35) KLKB1SLC2A1SLC2A3SLC2A4HDAC6
SCHEMBL10090042 0.93 GPR6 (0.35) KLKB1SLC2A1SLC2A3SLC2A4HDAC6
SCHEMBL10090041 0.90 GPR6 (0.34) KLKB1SLC2A1SLC2A3SLC2A4GPR6
SCHEMBL10089859 0.89 SLC2A1 (0.37) KLKB1SLC2A1SLC2A3SLC2A4GPR6
SCHEMBL10089980 0.89 IDH1 (0.36) SLC2A1SLC2A3SLC2A4GPR6SLC2A2
SCHEMBL10089907 0.89 ABCB1 (0.37) KLKB1SLC2A1SLC2A3SLC2A4PPARG
SCHEMBL10089941 0.88 RIPK1 (0.37) GPR6PPARGPPARDPPARARIPK1
SCHEMBL10089975 0.88 SLC2A1 (0.35) SLC2A1SLC2A3SLC2A4GPR6SLC2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791143-B2 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2012-01-12 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-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains DDT, ADCY1, ANTXR2 KLKB1 4458/4885SLC2A1 3782/4885SLC2A3 3762/4885

“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.