SCHEMBL4191033

SCHEMBL4191033

Cc1ccc(NC(=O)Nc2cccc(-c3c(C#N)cnc4cc(-c5ccncc5)sc34)c2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.64
BLM P54132 9/20 0.49
MCL1 Q07820 1/20 0.47
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
WRN Q14191 3/20 0.41
DGAT1 O75907 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4201770 0.95 BRAF (0.58) BRAFBLMMCL1CCNCCDK8
SCHEMBL4203385 0.89 BRAF (0.65) BRAFBLMCNR1WRN
SCHEMBL4195857 0.88 BRAF (0.66) BRAFBLMMCL1CNR1KDM4E
SCHEMBL3976693 0.85 BRAF (0.83) BRAFBLMCDK8RAB9AMEN1
SCHEMBL4199761 0.84 BRAF (0.69) BRAFBLMCDK8CNR1WRN
SCHEMBL4198711 0.83 BRAF (0.59) BRAFCNR1RAB9AMEN1MAPT
SCHEMBL4205760 0.83 BRAF (0.68) BRAFBLMCDK8WRNKDR
SCHEMBL4204275 0.82 BRAF (0.59) BRAFMCL1CNR1KDM4ERAB9A
SCHEMBL4194851 0.80 BRAF (0.75) BRAFMEN1MAPTKMT2AKDR
SCHEMBL4196576 0.80 BRAF (0.78) BRAFMEN1KMT2A

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 1/4885BLM 2054/4885MCL1 1283/4885

“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.