SCHEMBL9932667

SCHEMBL9932667

CN(C(=O)Nc1c(F)ccc(C(N)=O)c1F)c1ncnc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.40
JAK3 P52333 13/20 0.40
BRAF P15056 1/20 0.40
JAK2 O60674 8/20 0.39
CSF1R P07333 1/20 0.38

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
SCHEMBL9932669 0.87 BRAF (0.43) JAK1JAK3BRAFJAK2CSF1R
SCHEMBL9932007 0.83 BRAF (0.38) BRAF
SCHEMBL9967963 0.79 BRAF (0.67) JAK1JAK3BRAFJAK2
SCHEMBL9931498 0.78 BRAF (0.46) BRAF
SCHEMBL11971840 0.74 BRAF (0.44) BRAFJAK2CSF1R
SCHEMBL13007800 0.70 JAK1 (0.53) JAK1JAK3JAK2CSF1R
SCHEMBL9932010 0.70 BRAF (0.41) BRAF
SCHEMBL8293815 0.69 LCK (0.45) BRAF
SCHEMBL3388345 0.69 BRAF (0.43) JAK1JAK3BRAFJAK2CSF1R
SCHEMBL28894969 0.67 PTK2 (0.44) JAK2

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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF JAK1 1189/4885JAK3 1501/4885BRAF 1/4885

“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.