SCHEMBL3484767

SCHEMBL3484767

CC(C)(C)CNC(=O)c1ccc(Oc2ccc(N)cc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
SCN9A Q15858 3/20 0.41
PNLIP P16233 1/20 0.41
CNR2 P34972 1/20 0.40
GRM4 Q14833 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
EPX P11678 1/20 0.39
LPO P22079 1/20 0.39
ERBB2 P04626 3/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL3484062 0.89 ERBB2 (0.46) SCN9ACCNCCDK8CDK19ERBB2
SCHEMBL3485177 0.85 ACACB (0.43) ACACBPNLIPCNR2GRM4CDK8
SCHEMBL3510341 0.84 EPHX2 (0.51) PNLIPERBB2EPHX2NR1H4
SCHEMBL3484654 0.83 MEN1 (0.53)
SCHEMBL3483897 0.75 ERBB2 (0.42) SCN9AERBB2
SCHEMBL3484041 0.75 EGFR (0.68) ERBB2
SCHEMBL3484176 0.74 EGLN1 (0.38) ACACBCNR2GRM4
SCHEMBL3507398 0.74 MRGPRX4 (0.46) ERBB2EPHX2NR1H4
SCHEMBL27576048 0.73 RAF1 (0.51) ACACBPNLIPGRM4
SCHEMBL159190 0.72 MPO (0.51) PNLIPGRM4MPOTPOEPX

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 2 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
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 ACACB 2574/4885SCN9A 3444/4885PNLIP 4767/4885

“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.