SCHEMBL3484557

SCHEMBL3484557

CC(C)(C)NC(=O)c1cc(Oc2ccc(N)cc2Cl)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 16/20 0.45
RAF1 P04049 2/20 0.42
RET P07949 2/20 0.42
KDR P35968 2/20 0.42
MEN1 O00255 1/20 0.42
PLK4 O00444 1/20 0.42
CIT O14578 1/20 0.42
AURKA O14965 1/20 0.42
MUSK O15146 1/20 0.42
EPHB6 O15197 1/20 0.42
MAPK13 O15264 1/20 0.42
MLNR O43193 1/20 0.42
MAP3K7 O43318 1/20 0.42
RIPK2 O43353 1/20 0.42
DYRK3 O43781 1/20 0.42
PDE6D O43924 1/20 0.42
NR1I2 O75469 1/20 0.42
STK10 O94804 1/20 0.42
CDK14 O94921 1/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL617620 0.87 KDR (0.50) RAF1RETKDRMEN1PLK4
SCHEMBL3485177 0.85 ACACB (0.43) ANO1EGFRERBB2CDK8KMT2A
SCHEMBL27576048 0.84 RAF1 (0.51) RAF1KDRMETBRAFGSK3B
SCHEMBL3484055 0.83 MEN1 (0.52) MEN1TBXA2RKMT2A
SCHEMBL1137111 0.82 RAF1 (0.46) RAF1KDREGFRERBB2MET
SCHEMBL3483771 0.80 EGFR (0.39) ANO1MEN1EGFRERBB2EPHX2
SCHEMBL3505758 0.79 EGFR (0.52) MEN1EGFRERBB2KMT2A
SCHEMBL3506314 0.78 POLB (0.48) ANO1KMT2A
SCHEMBL3484639 0.78 GRM4 (0.42) EGFRERBB2KMT2A
SCHEMBL3484355 0.77 EGFR (0.41) RAF1EGFRERBB2EPHX2

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 ANO1 4461/4885RAF1 129/4885RET 5/4885

“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.