SCHEMBL10089953

SCHEMBL10089953

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.37
GLS O94925 6/20 0.37
ABCB1 P08183 1/20 0.37
PPARG P37231 2/20 0.36
CNR1 P21554 3/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
SLC2A1 P11166 1/20 0.35
SLC2A3 P11169 1/20 0.35
SLC2A4 P14672 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL10089945 0.95 KLKB1 (0.35) RIPK1GLSPPARGCNR1PPARD
SCHEMBL10089859 0.94 SLC2A1 (0.37) RIPK1SLC2A1SLC2A3SLC2A4
SCHEMBL10089907 0.94 ABCB1 (0.37) RIPK1GLSABCB1PPARGCNR1
SCHEMBL10089941 0.93 RIPK1 (0.37) RIPK1GLSABCB1PPARGCNR1
SCHEMBL10089935 0.90 SLC2A1 (0.36) PPARGSLC2A1SLC2A3SLC2A4
SCHEMBL10090025 0.89 HSD17B13 (0.36) RIPK1SLC2A1SLC2A3SLC2A4
SCHEMBL10089908 0.89 KLKB1 (0.35) ABCB1PPARGCNR1SLC2A1SLC2A3
SCHEMBL10089902 0.88 IDH1 (0.37) CNR1SLC2A1SLC2A3SLC2A4
SCHEMBL13085225 0.88 SLC2A1 (0.37) SLC2A1SLC2A3SLC2A4
SCHEMBL10090042 0.88 GPR6 (0.35) RIPK1SLC2A1SLC2A3SLC2A4

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 RIPK1 4585/4885GLS 259/4885ABCB1 3201/4885

“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.