SCHEMBL4768484

SCHEMBL4768484

CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc(S(C)(=O)=O)cc5)ncnc34)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.59
LCK P06239 4/20 0.59
KDR P35968 3/20 0.51
MAPK14 Q16539 3/20 0.51
TEK Q02763 1/20 0.47
PIP4K2C Q8TBX8 10/20 0.43
PIP4K2A P48426 11/20 0.41
PIP4K2B P78356 2/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
EGFR P00533 1/20 0.39
JAK3 P52333 1/20 0.39
CD38 P28907 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
SCHEMBL11889161 0.91 BRAF (0.52) BRAFLCKKDRMAPK14TEK
SCHEMBL4765016 0.87 LCK (0.61) BRAFLCKKDRMAPK14TEK
SCHEMBL11889147 0.85 BRAF (0.52) BRAFLCKKDRMAPK14TEK
SCHEMBL4772175 0.85 LCK (0.60) BRAFLCKKDRMAPK14TEK
SCHEMBL4764961 0.83 BRAF (0.56) BRAFLCKKDRMAPK14TEK
SCHEMBL11889409 0.82 LCK (0.56) BRAFLCKKDRMAPK14TEK
SCHEMBL11888972 0.82 LCK (0.56) BRAFLCKKDRMAPK14TEK
SCHEMBL4763359 0.82 LCK (0.56) BRAFLCKKDRMAPK14TEK
SCHEMBL2264429 0.82 LCK (0.56) BRAFLCKKDRMAPK14TEK
SCHEMBL5471596 0.80 LCK (0.54) BRAFLCKKDRMAPK14TEK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP claimed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP claimed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US claimed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 WO claimed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP 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-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 BRAF 1/4885LCK 392/4885KDR 578/4885

“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.