SCHEMBL1259624

SCHEMBL1259624

CC(C)(C)N(C(=O)O)c1ccc(Oc2ccc3nc(N)sc3n2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.36
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
MET P08581 4/20 0.32
TMPRSS15 P98073 2/20 0.32
MAPK14 Q16539 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL3508921 0.92 BRAF (0.38) BRAFABL1BCR
SCHEMBL3509949 0.86 BRAF (0.35) BRAFMAP4K4ABL1BCRTMPRSS15
SCHEMBL1258993 0.83 BRAF (0.57) BRAFABL1MAPK14
SCHEMBL3511679 0.82 NPC1 (0.38) BRAFMAP4K4
SCHEMBL3512291 0.82 BRAF (0.33) BRAFABL1BCR
SCHEMBL2455537 0.80 BRAF (0.43) BRAFMAP4K4ABL1BCR
SCHEMBL1259549 0.79 MEN1 (0.48) MET
SCHEMBL14949680 0.79 MET (0.44) MAP4K4ABL1BCRMET
SCHEMBL3512217 0.78 BRAF (0.46) BRAF
SCHEMBL12892609 0.78 BRAF (0.49) BRAFMAP4K4ABL1BCRMET

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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 BRAF 84/4885MAP4K4 30/4885ABL1 1/4885

“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.