SCHEMBL3484053

SCHEMBL3484053

CC(C)(C)NC(=O)c1cccc(Oc2ccc(N)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
PTGER1 P34995 1/20 0.38
P2RX3 P56373 1/20 0.38
ANO1 Q5XXA6 2/20 0.38
GRM4 Q14833 2/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
GRM8 O00222 1/20 0.38
GRM7 Q14831 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PNLIP P16233 1/20 0.35
SCN9A Q15858 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
SCHEMBL3484429 0.83 TBXA2R (0.49) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL3485177 0.78 ACACB (0.43) CNR2ANO1GRM4EGFRERBB2
SCHEMBL3483771 0.77 EGFR (0.39) ANO1GRM4EGFRERBB2GRM8
SCHEMBL3484557 0.77 ANO1 (0.45) ANO1EGFRERBB2KMT2AMEN1
SCHEMBL3505758 0.77 EGFR (0.52) EGFRERBB2KMT2AMEN1MAPT
SCHEMBL4799636 0.73 CYP3A4 (0.41) GRM4KMT2AMEN1
SCHEMBL7347715 0.73 CTSA (0.47) CNR2KMT2AMEN1MAPT
SCHEMBL11687779 0.73 GRM4 (0.48) GRM4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3484355 0.73 EGFR (0.41) GRM4EGFRERBB2PNLIP
SCHEMBL28338794 0.72 MRGPRX4 (0.41) EGFRERBB2KMT2AMEN1MAPT

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 CNR2 900/4885PTGER1 3379/4885P2RX3 3588/4885

“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.