SCHEMBL31428620

SCHEMBL31428620

CC(=O)N1CCc2cc(-c3cc(/C=C4/C(=O)c5ccccc5N4C(C)=O)nc4ccc(CN(C(=O)OC(C)(C)C)C5CCOCC5)cc34)ccc2C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.32
HSD11B1 P28845 1/20 0.32
CREBBP Q92793 2/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL24975829 1.00 MAPK1 (0.32) MAPK1HSD11B1CREBBPNR1H4
SCHEMBL31428691 0.90 UCHL1 (0.35) HSD11B1CREBBP
SCHEMBL31428693 0.88 ALDH1A1 (0.33) MAPK1HSD11B1NR1H4
SCHEMBL24976132 0.87 ALDH1A1 (0.34) MAPK1HSD11B1NR1H4
SCHEMBL31429042 0.87 HSD11B1 (0.33) MAPK1HSD11B1CREBBPNR1H4
SCHEMBL24975437 0.87 HSD11B1 (0.33) MAPK1HSD11B1CREBBPNR1H4
SCHEMBL24976131 0.86 MAPK1 (0.31) MAPK1
SCHEMBL31428785 0.85 PDE9A (0.34) MAPK1CREBBPNR1H4
SCHEMBL31429096 0.84 PDCD1 (0.40) MAPK1
SCHEMBL24975440 0.84 HSD11B1 (0.33) MAPK1HSD11B1CREBBPNR1H4

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 MAPK1 140/4885HSD11B1 3183/4885CREBBP 352/4885

“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.