SCHEMBL3974567

SCHEMBL3974567

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.53
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KCNK3 O14649 2/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ PDGFRB P09619 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ ABL1 P00519 3/20 0.44
▸ SRC P12931 2/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL14026840 0.83 BRAF (0.56) BRAFPDGFRBKDRABL1SRC
SCHEMBL6726761 0.81 BRAF (0.51) BRAFPDGFRBKDRABL1SRC
SCHEMBL3977839 0.78 ABCG2 (0.54) BRAFMEN1HTTRAB9AKMT2A
SCHEMBL4205781 0.78 BRAF (0.55) BRAFMEN1HTTRAB9AKMT2A
SCHEMBL3978261 0.77 BRAF (0.53) BRAFPDGFRBKDRABL1TRPV4
SCHEMBL3975710 0.76 BRAF (0.57) BRAFPDGFRBKDRMAPK14
SCHEMBL3975611 0.75 BRAF (0.51) BRAFMEN1HTTRAB9AKMT2A
SCHEMBL6828201 0.74 MEN1 (0.53) MEN1HTTRAB9AKMT2AKCNK3
SCHEMBL3977917 0.74 JAK3 (0.64) BRAFMEN1HTTRAB9AKMT2A
SCHEMBL4194960 0.73 BRAF (0.70) BRAFMEN1HTTRAB9AKMT2A

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 1/4885MEN1 4195/4885HTT 4769/4885

“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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