SCHEMBL4205781

SCHEMBL4205781

O=C(Nc1cccc(-c2ncnc3c2ccn3Cc2ccccc2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.55
▸ KCNK3 O14649 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ EPHB4 P54760 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ KCNQ3 O43525 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46
▸ KCNE1 P15382 1/20 0.46
▸ KCNQ1 P51787 1/20 0.46

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
SCHEMBL3975361 0.88 BRAF (0.52) BRAFLMNARAB9AALDH1A1
SCHEMBL3975611 0.88 BRAF (0.51) BRAFEPHB4PDGFRBKDRMEN1
SCHEMBL3978261 0.84 BRAF (0.53) BRAFEPHB4PDGFRBKDR
SCHEMBL3975710 0.80 BRAF (0.57) BRAFEPHB4AURKARPS6KB1PDGFRB
SCHEMBL3977839 0.78 ABCG2 (0.54) BRAFPDGFRBKDRMAPTRXFP1
SCHEMBL3974567 0.78 BRAF (0.53) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4205684 0.77 BRAF (0.88) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL3977917 0.76 JAK3 (0.64) BRAFKCNK3LMNAPDGFRBKDR
SCHEMBL4194960 0.75 BRAF (0.70) BRAFKCNK3LMNAAURKAPDGFRB
SCHEMBL24073967 0.74 KCNK3 (0.82) KCNK3LMNAPDGFRBKDRMAPT

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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 BRAF 1/4885KCNK3 1832/4885LMNA 3993/4885

“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.

Send feedback