SCHEMBL4886254

SCHEMBL4886254

CNc1ncc(-c2nccc(Nc3cc(NC(=O)c4cc(F)cc(C(C)(C)C#N)c4)ccc3C)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
BRAF P15056 16/20 0.45
CYP2C9 P11712 2/20 0.45
KDR P35968 2/20 0.43
RAF1 P04049 2/20 0.42
YES1 P07947 1/20 0.42
BMX P51813 1/20 0.41

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
SCHEMBL4631512 0.89 BRAF (0.57) BRAFCYP2C9RAF1YES1
SCHEMBL4877906 0.88 RAF1 (0.52) BRAFRAF1
SCHEMBL4882776 0.81 BRAF (0.57) BRAFCYP2C9RAF1YES1
SCHEMBL4631343 0.80 BRAF (0.58) BRAFCYP2C9RAF1YES1
SCHEMBL4878345 0.78 RAF1 (0.53) BRAFRAF1
SCHEMBL27708222 0.77 PIKFYVE (0.55) BRAF
SCHEMBL4877170 0.75 BRAF (0.63) BRAFCYP2C9RAF1YES1
SCHEMBL4630922 0.73 BRAF (0.59) MAPK14BRAFCYP2C9RAF1YES1
SCHEMBL4973741 0.72 BRAF (0.51) BRAFCYP2C9KDR
SCHEMBL4630979 0.71 BRAF (0.68) MAPK14BRAFKDRRAF1

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-20080146570-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-06-19 US claimed

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-20080146570-A1 Chemical Compounds BRAF, RAF1, NRAS MAPK14 226/4885BRAF 1/4885CYP2C9 915/4885

“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.