SCHEMBL31428419

SCHEMBL31428419

Cc1cc(-c2cccc(-c3ccccc3)c2)c2cc(CN(C(=O)OC(C)(C)C)C3CCOCC3)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
HSD11B1 P28845 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GRM2 Q14416 1/20 0.34
HDAC1 Q13547 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
ADAM17 P78536 4/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 2/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP10 P09238 1/20 0.32

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
SCHEMBL31428517 0.95 GRM2 (0.39) EZH2ACACBACACAHSD11B1NR1H4
SCHEMBL31428830 0.91 SLC6A2 (0.40) EZH2ACACBACACAHSD11B1NR1H4
SCHEMBL31429076 0.91 IRAK1 (0.38) GRM2
SCHEMBL31428733 0.91 SLC6A2 (0.36) EZH2ACACBACACAHSD11B1NR1H4
SCHEMBL24975804 0.90 GRM2 (0.35) EZH2ACACBACACAHSD11B1NR1H4
SCHEMBL31428746 0.90 GRM2 (0.35) EZH2ACACBACACAHSD11B1NR1H4
SCHEMBL31428778 0.85 GRM2 (0.40) GRM2KCNH2
SCHEMBL31428465 0.85 GRM2 (0.39) EZH2ACACBACACAHSD11B1NR1H4
SCHEMBL31428883 0.84 MMP9 (0.36) EZH2HSD11B1NR1H4SLC6A2SLC6A4
SCHEMBL31429001 0.84 EGFR (0.36) HSD11B1NR1H4GRM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 US 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS EZH2 1692/4885ACACB 3303/4885ACACA 3353/4885

“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.