SCHEMBL3979778

SCHEMBL3979778

N#Cc1cnc2cc(-c3ccncc3)sc2c1-c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 1.00
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
IDE P14735 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46
PDGFRB P09619 1/20 0.45
KDR P35968 1/20 0.45
KCNK3 O14649 1/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
CSF1R P07333 1/20 0.44
POLB P06746 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
SCHEMBL3976693 0.91 BRAF (0.83) BRAFMEN1KMT2AIDEMAPK1
SCHEMBL4196576 0.87 BRAF (0.78) BRAFMEN1KMT2AKCNK3KCNQ3
SCHEMBL4194851 0.86 BRAF (0.75) BRAFMEN1TSHRKMT2AKDR
SCHEMBL4195680 0.85 BRAF (0.74) BRAFMEN1KMT2AMAPK1MAPT
SCHEMBL4195968 0.83 BRAF (0.70) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL4199761 0.81 BRAF (0.69) BRAFKDRCSF1R
SCHEMBL3982343 0.81 BRAF (1.00) BRAFMEN1TSHRKMT2AIDE
SCHEMBL4205760 0.81 BRAF (0.68) BRAFKDR
SCHEMBL4198750 0.80 BRAF (0.67) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL4195857 0.79 BRAF (0.66) BRAFMEN1KMT2AKDRMAPT

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 4195/4885TSHR 820/4885

“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.