SCHEMBL3977510

SCHEMBL3977510

O=C(Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.66
BLM P54132 5/20 0.57
WRN Q14191 1/20 0.57
TEK Q02763 2/20 0.50
RIPK1 Q13546 1/20 0.47
EPHB4 P54760 1/20 0.47
KDR P35968 2/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
FLT3 P36888 1/20 0.45
FRK P42685 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2D Q13557 1/20 0.45
NTRK3 Q16288 1/20 0.45
HIPK4 Q8NE63 1/20 0.45
AURKB Q96GD4 1/20 0.45
CDK8 P49336 1/20 0.45

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
SCHEMBL4196519 0.90 BRAF (0.65) BRAFBLMRIPK1EPHB4KDR
SCHEMBL4199752 0.87 BRAF (0.82) BRAFTEKKDRFLT1
SCHEMBL4198556 0.85 CNR1 (0.62) BRAFBLMTEKCNR1
SCHEMBL4188384 0.84 BRAF (0.63) BRAFTEKKDRCNR1
SCHEMBL4194989 0.83 BLM (0.54) BRAFBLMWRNTEKRIPK1
SCHEMBL4188391 0.83 BRAF (0.61) BRAFBLMTEKKDRCSF1R
SCHEMBL3978525 0.80 BRAF (1.00) BRAFTEKKDR
SCHEMBL4195978 0.76 BRAF (0.76) BRAFTEKKDRCSF1R
SCHEMBL4195622 0.74 BRAF (0.59) BRAFBLMTEKRIPK1EPHB4
SCHEMBL4199761 0.74 BRAF (0.69) BRAFBLMWRNRIPK1EPHB4

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 1/4885BLM 2054/4885WRN 748/4885

“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.