SCHEMBL5000900

SCHEMBL5000900

CC(C)(C#N)c1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.63
CYP2C9 P11712 5/20 0.63
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL16060222 0.91 BRAF (0.55) BRAFCYP2C9
SCHEMBL26075614 0.87 BRAF (0.61) BRAFCYP2C9LMNAGAAMAPT
SCHEMBL2856180 0.87 BRAF (0.61) BRAFCYP2C9LMNAGAAMAPT
SCHEMBL1697887 0.87 BRAF (0.68) BRAFCYP2C9
SCHEMBL5004766 0.86 BRAF (0.59) BRAFCYP2C9
Hydrochloric Acid SCHEMBL1697863 0.86 BRAF (0.67) BRAFCYP2C9
SCHEMBL1697968 0.86 BRAF (0.59) BRAFCYP2C9
SCHEMBL3932173 0.85 BRAF (0.65) BRAFCYP2C9
SCHEMBL20577832 0.84 BRAF (0.58) BRAFCYP2C9RAB9A
SCHEMBL26077928 0.84 BRAF (0.58) BRAFCYP2C9

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-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 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-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF BRAF 1/4885CYP2C9 1230/4885LMNA 787/4885

“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.