SCHEMBL31428622

SCHEMBL31428622

CC(=O)N1/C(=C\c2ccc3cc(CNC4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 6/20 0.44
CD274 Q9NZQ7 6/20 0.44
OPRM1 P35372 3/20 0.40
OPRK1 P41145 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAP4K4 O95819 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
TYRO3 Q06418 1/20 0.33
CES1 P23141 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
SCHEMBL30163516 0.89 ALDH1A1 (0.37) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31428534 0.88 ALDH1A1 (0.40) PDCD1CD274ALDH1A1MAPTMAPK1
SCHEMBL31428734 0.88 ALDH1A1 (0.40) PDCD1CD274ALDH1A1MAPTMAPK1
SCHEMBL31428754 0.88 PDCD1 (0.49) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31428808 0.88 PDCD1 (0.49) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31428644 0.87 PDCD1 (0.44) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31428747 0.87 PDCD1 (0.45) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31429003 0.86 PDCD1 (0.48) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31428998 0.85 PDCD1 (0.41) PDCD1CD274OPRM1OPRK1ALDH1A1
SCHEMBL31428910 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1HTTSMN1; SMN2

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.