SCHEMBL31428830

SCHEMBL31428830

Cc1cc(-c2ccc3ccccc3c2)c2cc(CN(C(=O)OC(C)(C)C)C3CCOCC3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 2/20 0.37
EZH2 Q15910 2/20 0.36
GRM2 Q14416 1/20 0.36
HSD11B1 P28845 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
ADAM17 P78536 4/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP10 P09238 1/20 0.32
PKM P14618 1/20 0.32
BACE1 P56817 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 0.93 GRM2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2EZH2
SCHEMBL31428419 0.91 EZH2 (0.36) SLC6A2SLC6A4SLC6A3KCNH2EZH2
SCHEMBL24975808 0.90 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2EZH2
SCHEMBL31428733 0.89 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KCNH2EZH2
SCHEMBL31428778 0.85 GRM2 (0.40) KCNH2GRM2
SCHEMBL31429076 0.84 IRAK1 (0.38) GRM2
SCHEMBL31428883 0.83 MMP9 (0.36) SLC6A2SLC6A4SLC6A3KCNH2EZH2
SCHEMBL31429001 0.83 EGFR (0.36) GRM2HSD11B1NR1H4
SCHEMBL31428770 0.83 HSD11B1 (0.37) EZH2GRM2HSD11B1NR1H4ADAM17
SCHEMBL24975466 0.83 QRFPR (0.34) GRM2HSD11B1NR1H4

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 SLC6A2 4445/4885SLC6A4 4572/4885SLC6A3 3887/4885

“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.