SCHEMBL3977979

SCHEMBL3977979

O=C(Nc1cccc(-c2ncnc3[nH]c(-c4ccncc4)cc23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.70
▸ KDR P35968 2/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ KIT P10721 3/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ KCNK3 O14649 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAP3K5 Q99683 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.47

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
SCHEMBL3978525 0.82 BRAF (1.00) BRAFKDRPDGFRBPTGS1KCNK3
SCHEMBL3977917 0.81 JAK3 (0.64) BRAFKDRPDGFRBPTGS1KCNK3
SCHEMBL3982343 0.79 BRAF (1.00) BRAFKDRPDGFRBPTGS1KCNK3
SCHEMBL4195360 0.78 BRAF (0.71) BRAFKDRPDGFRBKCNK3MAPT
SCHEMBL4194960 0.77 BRAF (0.70) BRAFKDRPDGFRBPTGS1KCNK3
SCHEMBL3980014 0.76 BRAF (0.73) BRAFKDRPDGFRBPTGS1KCNK3
SCHEMBL4200345 0.76 BRAF (1.00) BRAFKDRPDGFRBMAPTRXFP1
SCHEMBL4205684 0.75 BRAF (0.88) BRAFKDRPDGFRBPTGS1KCNK3
SCHEMBL2305033 0.75 LCK (0.53) BRAFKDRPDGFRBKITPTGS1
SCHEMBL3983734 0.74 BRAF (0.59) 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 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 1/4885KDR 616/4885PDGFRB 512/4885

“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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