SCHEMBL4200345

SCHEMBL4200345

O=C(Nc1cccc(-c2ncnc3sc(-c4cccnc4)cc23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 1.00
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
CSF1R P07333 4/20 0.51
PIKFYVE Q9Y2I7 2/20 0.51
PDGFRB P09619 1/20 0.51
KDR P35968 1/20 0.51
MAPT P10636 1/20 0.50
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
TEK Q02763 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
EPHX2 P34913 1/20 0.48

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 0.93 BRAF (1.00) BRAFMEN1KMT2ATSHRPDGFRB
SCHEMBL4205684 0.92 BRAF (0.88) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL3976206 0.88 BRAF (0.84) BRAFCSF1RPDGFRBKDRMAPT
SCHEMBL4195742 0.87 BRAF (0.81) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL4190532 0.86 BRAF (0.79) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL4188372 0.86 BRAF (0.88) BRAFMEN1KMT2ATSHRCSF1R
SCHEMBL4192912 0.86 BRAF (0.77) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL3980014 0.83 BRAF (0.73) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL3982001 0.83 BRAF (0.73) BRAFMEN1KMT2APDGFRBKDR
SCHEMBL4199752 0.83 BRAF (0.82) 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 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 1/4885MEN1 4195/4885KMT2A 1956/4885

“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.