SCHEMBL3484355

SCHEMBL3484355

CC(C)(C)NC(=O)c1cncc(Oc2ccc(N)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
RAF1 P04049 1/20 0.40
PNLIP P16233 1/20 0.40
HPGDS O60760 1/20 0.39
PTGDR Q13258 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
PPARG P37231 3/20 0.38
SIRT2 Q8IXJ6 4/20 0.37
SIRT1 Q96EB6 4/20 0.37
SIRT3 Q9NTG7 3/20 0.37
CYP3A4 P08684 2/20 0.37
GRM4 Q14833 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
GRM5 P41594 1/20 0.36
ESRRA P11474 1/20 0.36

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
SCHEMBL3505758 0.84 EGFR (0.52) EGFRERBB2PTGDRPTGDR2
SCHEMBL3484636 0.83 MEN1 (0.52) SIRT2SIRT1SIRT3
SCHEMBL3485177 0.81 ACACB (0.43) EGFRERBB2PNLIPHPGDSGRM4
SCHEMBL3484639 0.80 GRM4 (0.42) EGFRERBB2PNLIPGRM4NR1H4
SCHEMBL3484557 0.77 ANO1 (0.45) EGFRERBB2RAF1EPHX2
SCHEMBL3483771 0.77 EGFR (0.39) EGFRERBB2PNLIPPTGDRPTGDR2
SCHEMBL3506314 0.76 POLB (0.48) PNLIP
SCHEMBL28880745 0.75 PNLIP (0.46) PNLIPNR1H4ESRRA
SCHEMBL3506152 0.73 MRGPRX4 (0.46) EGFRERBB2PNLIP
SCHEMBL2034696 0.73 PPARG (0.50) PPARGCYP3A4

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 EGFR 13/4885ERBB2 1/4885RAF1 129/4885

“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.