SCHEMBL31428962

SCHEMBL31428962

CC(=O)N1/C(=C\c2cc(-c3ccc(C(=O)OC(C)(C)C)cc3)c3cc(C(=O)N4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
HPGD P15428 2/20 0.38
GRM2 Q14416 1/20 0.37
PLAUR Q03405 2/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MOK Q9UQ07 1/20 0.35
PDE4B Q07343 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL31428977 0.94 PDCD1 (0.42) PDCD1CD274HPGDPLAURJAK2
SCHEMBL24976130 0.94 PDCD1 (0.42) PDCD1CD274HPGDPLAURJAK2
SCHEMBL31428944 0.91 PDCD1 (0.38) PDCD1CD274HPGDPLAURALDH1A1
SCHEMBL31428624 0.91 PDCD1 (0.48) PDCD1CD274HPGDGRM2PLAUR
SCHEMBL31428782 0.91 PDCD1 (0.49) PDCD1CD274HPGDGRM2PLAUR
SCHEMBL31428789 0.90 PDCD1 (0.46) PDCD1CD274HPGDGRM2PLAUR
SCHEMBL31428612 0.89 PDCD1 (0.43) PDCD1CD274HPGDGRM2PLAUR
SCHEMBL31428676 0.88 PDCD1 (0.45) PDCD1CD274HPGDGRM2PLAUR
SCHEMBL31428666 0.88 PDCD1 (0.48) PDCD1CD274HPGDPLAURALDH1A1
SCHEMBL31428873 0.88 PDCD1 (0.42) PDCD1CD274HPGDGRM2PLAUR

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 1903/4885HPGD 4233/4885

“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.