SCHEMBL31428754

SCHEMBL31428754

CC(=O)N1/C(=C\c2cc(-c3ccccc3-c3ccccc3)c3cc(CNC4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 6/20 0.49
CD274 Q9NZQ7 6/20 0.49
OPRM1 P35372 4/20 0.42
OPRK1 P41145 4/20 0.42
MAP4K4 O95819 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TYRO3 Q06418 1/20 0.35
PRKD1 Q15139 2/20 0.34
MTOR P42345 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33

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
SCHEMBL31428808 0.95 PDCD1 (0.49) PDCD1CD274OPRM1OPRK1MAP4K4
SCHEMBL31429003 0.93 PDCD1 (0.48) PDCD1CD274OPRM1OPRK1MAP4K4
SCHEMBL31428843 0.92 PDCD1 (0.42) PDCD1CD274OPRM1OPRK1MAPK1
SCHEMBL31428747 0.92 PDCD1 (0.45) PDCD1CD274OPRM1OPRK1MAP4K4
SCHEMBL31428644 0.90 PDCD1 (0.44) PDCD1CD274OPRM1OPRK1MAP4K4
SCHEMBL31428415 0.89 PDCD1 (0.41) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31428726 0.89 PDCD1 (0.43) PDCD1CD274OPRM1OPRK1MAPK1
SCHEMBL31428822 0.89 PDCD1 (0.42) PDCD1CD274OPRM1OPRK1MAP4K4
SCHEMBL31428622 0.88 PDCD1 (0.44) PDCD1CD274OPRM1OPRK1MAP4K4
SCHEMBL31428998 0.86 PDCD1 (0.41) PDCD1CD274OPRM1OPRK1ALDH1A1

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 PDCD1 1360/4885CD274 1903/4885OPRM1 4177/4885

“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.