SCHEMBL3770455

SCHEMBL3770455

Cc1ccc2c(Nc3ccc4c(c3)OC(F)(F)O4)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.51
RAF1 P04049 1/20 0.51
LCK P06239 7/20 0.50
TEK Q02763 7/20 0.50
KDR P35968 6/20 0.50
PIK3CA P42336 5/20 0.48
MAPK14 Q16539 2/20 0.45
PIK3CG P48736 4/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CD O00329 3/20 0.37
MKNK1 Q9BUB5 4/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
TTBK1 Q5TCY1 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36

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
SCHEMBL13979292 0.84 BRAF (0.61) BRAFRAF1LCKTEKKDR
SCHEMBL3768730 0.82 BRAF (0.66) BRAFRAF1LCKTEKKDR
SCHEMBL11889172 0.81 BRAF (0.70) BRAFRAF1LCKTEKKDR
SCHEMBL3643409 0.81 BRAF (0.64) BRAFRAF1LCKTEKKDR
SCHEMBL11889211 0.81 TEK (0.68) BRAFRAF1LCKTEKKDR
SCHEMBL3766445 0.79 PIK3CA (0.49) BRAFRAF1LCKTEKKDR
SCHEMBL3675993 0.78 BRAF (0.54) BRAFRAF1LCKTEKKDR
SCHEMBL3770461 0.76 PIK3CA (0.35) BRAFRAF1LCKTEKKDR
SCHEMBL3778703 0.73 BRAF (0.53) BRAFRAF1LCKTEKKDR
SCHEMBL11889158 0.72 BRAF (0.57) BRAFRAF1LCKTEKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 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 (2 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-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885LCK 337/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885LCK 353/4885

“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.