SCHEMBL3975710

SCHEMBL3975710

CN(C)Cc1ccc(-n2ccc3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ncnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.57
▸ RAF1 P04049 1/20 0.57
▸ MAPK14 Q16539 1/20 0.57
▸ EPHB4 P54760 1/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ PIP4K2A P48426 1/20 0.44
▸ PIP4K2B P78356 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43

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
SCHEMBL3977839 0.86 ABCG2 (0.54) BRAFPDGFRBKDR
SCHEMBL3978261 0.82 BRAF (0.53) BRAFRAF1MAPK14EPHB4PDGFRB
SCHEMBL3975611 0.81 BRAF (0.51) BRAFRAF1MAPK14EPHB4PDGFRB
SCHEMBL4205781 0.80 BRAF (0.55) BRAFEPHB4PDGFRBKDRAURKA
SCHEMBL3974567 0.76 BRAF (0.53) BRAFMAPK14PDGFRBKDR
SCHEMBL3975361 0.76 BRAF (0.52) BRAFRAF1
SCHEMBL3983756 0.74 BRAF (0.58) BRAFRAF1MAPK14
SCHEMBL4655705 0.73 BRAF (1.00) BRAFRAF1MAPK14
SCHEMBL3977917 0.72 JAK3 (0.64) BRAFMAPK14PDGFRBKDR
SCHEMBL4194960 0.72 BRAF (0.70) BRAFPDGFRBKDRAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 BRAF 1/4885RAF1 3/4885MAPK14 498/4885

“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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