SCHEMBL10089964

SCHEMBL10089964

O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(Br)cc(Cl)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.37
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
ABCB1 P08183 1/20 0.37
GLS O94925 8/20 0.36
KCNB1 Q14721 1/20 0.34
PPARG P37231 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL10089880 0.94 PTGER4 (0.35) MAPK1
SCHEMBL10090009 0.92 MMP13 (0.38)
SCHEMBL10089951 0.91 ABCB1 (0.39) RIPK1ROCK2ROCK1ABCB1GLS
SCHEMBL10089944 0.90 RIPK1 (0.38) RIPK1ROCK2ROCK1ABCB1GLS
SCHEMBL10089955 0.89 MMP13 (0.36) PPARG
SCHEMBL10090019 0.89 RIPK1 (0.38) RIPK1ROCK2ROCK1ABCB1GLS
SCHEMBL10090007 0.89 ABCB1 (0.39) RIPK1ROCK2ROCK1ABCB1GLS
SCHEMBL10089861 0.89 RIPK1 (0.39) RIPK1ROCK2ROCK1ABCB1GLS
SCHEMBL10089899 0.88 HSD17B13 (0.40) RIPK1MAPK1
SCHEMBL10089982 0.88 PPARG (0.39) RIPK1ROCK2ROCK1ABCB1GLS

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
EP-2582695-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES WITH CYCLICAL SIDE CHAINS BAYER IP GMBH (DE) 2015-09-30 EP disclosed
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 4585/4885ROCK2 869/4885ROCK1 1018/4885

“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.