SCHEMBL3484062

SCHEMBL3484062

Cc1cc(N)ccc1Oc1ccc(C(=O)NCC(C)(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 9/20 0.46
SCN9A Q15858 3/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL3484767 0.89 ACACB (0.43) ERBB2SCN9ACCNCCDK8CDK19
SCHEMBL3484176 0.85 EGLN1 (0.38) EGLN1
SCHEMBL3483897 0.83 ERBB2 (0.42) ERBB2SCN9A
SCHEMBL25353868 0.83 ERBB2 (0.56) ERBB2
SCHEMBL3484654 0.75 MEN1 (0.53)
SCHEMBL3484589 0.75 ERBB2 (0.58) ERBB2
SCHEMBL3485177 0.74 ACACB (0.43) ERBB2CDK8
SCHEMBL3510341 0.73 EPHX2 (0.51) ERBB2
SCHEMBL24167943 0.72 MCHR1 (0.38) ERBB2SCN9A
SCHEMBL215985 0.71 ERBB2 (0.50) ERBB2SCN9A

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 ERBB2 1/4885SCN9A 3444/4885EGLN1 666/4885

“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.