SCHEMBL3483771

SCHEMBL3483771

CC(C)(C)NC(=O)c1ccnc(Oc2ccc(N)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
PTGDR Q13258 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
KMT2A Q03164 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ANO1 Q5XXA6 3/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
CTSA P10619 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PNLIP P16233 1/20 0.35
GRM8 O00222 1/20 0.35

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
SCHEMBL3484616 0.83 TBXA2R (0.47) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL3484557 0.80 ANO1 (0.45) EGFRERBB2KMT2AMEN1EPHX2
SCHEMBL3505758 0.79 EGFR (0.52) EGFRERBB2PTGDRPTGDR2KMT2A
SCHEMBL3484053 0.77 CNR2 (0.39) EGFRERBB2KMT2AMEN1MAPT
SCHEMBL3484355 0.77 EGFR (0.41) EGFRERBB2PTGDRPTGDR2EPHX2
SCHEMBL3485177 0.76 ACACB (0.43) EGFRERBB2KMT2AANO1PNLIP
SCHEMBL20812506 0.75 KCNK3 (0.54) MAPTSMN1; SMN2CTSAALDH1A1
SCHEMBL3484639 0.73 GRM4 (0.42) EGFRERBB2KMT2ANR1H4PNLIP
SCHEMBL13701663 0.72 TAS1R3 (0.51) MAPTSMN1; SMN2ANO1
SCHEMBL3506314 0.71 POLB (0.48) KMT2AANO1PNLIP

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 EGFR 13/4885ERBB2 1/4885PTGDR 1319/4885

“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.