SCHEMBL1642086

SCHEMBL1642086

NS(=O)(=O)CCc1cccc(Nc2nccc(-c3scnc3-c3cccc(N(C(=O)C(F)(F)F)c4cc(F)ccc4F)c3)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ IGF1R P08069 2/20 0.35
▸ CDK19 Q9BWU1 2/20 0.35
▸ SYK P43405 2/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ CCNT1 O60563 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CDK9 P50750 3/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK7 P50613 2/20 0.35
▸ CCNH P51946 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ AURKA O14965 2/20 0.34
▸ CAMK2D Q13557 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PDGFRB P09619 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
Trifluoroacetic Acid SCHEMBL1642084 0.83 ABL1 (0.40) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL12726574 0.82 ABL1 (0.43) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL1641958 0.79 IGF1R (0.51) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL1640516 0.72 EGFR (0.43) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL12726216 0.69 BRAF (0.52) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL1641059 0.69 IGF1R (0.45) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL12726561 0.67 BRAF (0.54) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL12726565 0.67 IGF1R (0.59) BRAFEGFRERBB2IGF1RCDK19
SCHEMBL1641705 0.67 SLC2A1 (0.51) BRAFEGFRERBB2IGF1RABL1
Formic Acid SCHEMBL1641061 0.65 IGF1R (0.56) BRAFEGFRERBB2IGF1RCDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 — — 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 BRAF 151/4885EGFR 478/4885ERBB2 69/4885

“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.

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