SCHEMBL796978

SCHEMBL796978

CC(C)c1ccc(Nc2nc(N)nc3nc[nH]c23)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.65
EIF2AK2 P19525 1/20 0.61
TNNI3K Q59H18 1/20 0.53

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
SCHEMBL16146280 0.85 BRAF (0.74) BRAFEIF2AK2
SCHEMBL16145749 0.82 BRAF (0.72) BRAFEIF2AK2TNNI3K
SCHEMBL16146118 0.82 BRAF (0.72) BRAFEIF2AK2TNNI3K
SCHEMBL5355413 0.82 BRAF (0.73) BRAFEIF2AK2TNNI3K
SCHEMBL795950 0.80 MKNK1 (0.68) BRAFTNNI3K
SCHEMBL12969352 0.78 ROCK1 (0.69) BRAFEIF2AK2TNNI3K
Hydrochloric Acid SCHEMBL12813276 0.77 ROCK1 (0.67) BRAFEIF2AK2TNNI3K
SCHEMBL16146677 0.75 BRAF (1.00) BRAFTNNI3K
SCHEMBL30523356 0.75 BRAF (1.00) BRAFTNNI3K
SCHEMBL164700 0.74 XDH (0.65) BRAF

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
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO 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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 BRAF 3330/4885EIF2AK2 3/4885TNNI3K 1071/4885

“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.