SCHEMBL4196576

SCHEMBL4196576

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

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.78
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CES1 P23141 1/20 0.46
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNE1 P15382 2/20 0.43
KCNQ1 P51787 2/20 0.43
KCNQ5 Q9NR82 1/20 0.43
CSF1R P07333 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
LCLAT1 Q6UWP7 1/20 0.42
AURKA O14965 1/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL4195968 0.95 BRAF (0.70) BRAFMEN1KMT2ASMN1; SMN2CES1
SCHEMBL4195680 0.91 BRAF (0.74) BRAFMEN1KMT2ACSF1R
SCHEMBL4195857 0.90 BRAF (0.66) BRAFMEN1KMT2ASMN1; SMN2
SCHEMBL3979778 0.87 BRAF (1.00) BRAFMEN1KMT2AKCNQ3KCNQ2
SCHEMBL4203385 0.86 BRAF (0.65) BRAF
SCHEMBL4198750 0.86 BRAF (0.67) BRAFMEN1KMT2ACSF1R
SCHEMBL4204275 0.85 BRAF (0.59) BRAFMEN1KMT2ASMN1; SMN2
SCHEMBL4198711 0.81 BRAF (0.59) BRAFMEN1KMT2ASMN1; SMN2
SCHEMBL4191033 0.80 BRAF (0.64) BRAFMEN1KMT2A
SCHEMBL4205760 0.79 BRAF (0.68) 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 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.