SCHEMBL31428889

SCHEMBL31428889

CC(=O)N1/C(=C\c2cc(-c3cccc4cccnc34)c3cc(C(=O)N4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
HPGD P15428 1/20 0.39
PLAUR Q03405 2/20 0.38
MAPK10 P53779 1/20 0.37
RIPK1 Q13546 1/20 0.37
SLC40A1 Q9NP59 2/20 0.36
PDE4B Q07343 1/20 0.36
FABP1 P07148 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
SCN9A Q15858 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKDC P78527 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
SCHEMBL31428769 0.90 LRRK2 (0.34) PDCD1CD274FABP1ALDH1A1MAPT
SCHEMBL31428973 0.90 PDCD1 (0.44) PDCD1CD274HPGDPLAURALDH1A1
SCHEMBL31428976 0.90 PDCD1 (0.43) PDCD1CD274HPGDPLAURRIPK1
SCHEMBL31428666 0.88 PDCD1 (0.48) PDCD1CD274HPGDPLAURALDH1A1
SCHEMBL31428782 0.88 PDCD1 (0.49) PDCD1CD274HPGDPLAURALDH1A1
SCHEMBL31428874 0.88 ALDH1A1 (0.41) SLC40A1FABP1ALDH1A1MAPTMAPK1
SCHEMBL30163673 0.87 PDCD1 (0.40) PDCD1CD274HPGDPLAURPDE4B
SCHEMBL31428906 0.87 HPGD (0.42) PDCD1CD274HPGDPLAURPDE4B
SCHEMBL31429020 0.87 PDCD1 (0.44) PDCD1CD274HPGDPLAURPDE4B
SCHEMBL31428945 0.86 PDCD1 (0.47) PDCD1CD274HPGDPLAURMKNK1

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.