SCHEMBL14323474

SCHEMBL14323474

CN(OC(=O)C(F)(F)F)S(=O)(=O)c1cc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c(OCC(F)(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 15/20 0.55
▸ BRAF P15056 1/20 0.44
▸ CDK4 P11802 2/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ERBB3 P21860 2/20 0.39

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
SCHEMBL14322805 0.91 TNNI3K (0.49) TNNI3KEGFRERBB3
SCHEMBL14323497 0.91 BRAF (0.56) TNNI3KBRAFCDK4CDK2EGFR
SCHEMBL14322490 0.87 TNNI3K (0.68) TNNI3KBRAF
SCHEMBL14323546 0.85 BRAF (0.45) TNNI3KBRAFCDK4CDK2
Trifluoroacetic Acid SCHEMBL14323472 0.83 TNNI3K (0.67) TNNI3KBRAFEGFR
SCHEMBL14323387 0.82 TNNI3K (0.61) TNNI3KCDK4CDK2EGFRERBB3
SCHEMBL12517511 0.82 TNNI3K (0.73) TNNI3KBRAFEGFR
SCHEMBL14323482 0.80 TNNI3K (0.58) TNNI3KBRAF
SCHEMBL14323710 0.79 TNNI3K (0.63) TNNI3KBRAF
SCHEMBL14323797 0.79 TNNI3K (0.62) TNNI3KBRAFEGFRERBB3

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-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 — — 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 TNNI3K 2596/4885BRAF 1164/4885CDK4 248/4885

“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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