SCHEMBL29947686

SCHEMBL29947686

CC(C)(C)OC(=O)Nc1ccc(CNc2c([N+](=O)[O-])cnc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
RPS6KB1 P23443 2/20 0.48
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
NAMPT P43490 1/20 0.41
GRM5 P41594 1/20 0.41
CYP17A1 P05093 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40

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
SCHEMBL29136634 1.00 AURKA (0.48) AURKARPS6KB1TOP2ATOP2BEGFR
SCHEMBL29136628 0.91 EGFR (0.44) EGFRNAMPTGRM5MEN1NPC1
SCHEMBL29947704 0.91 EGFR (0.44) EGFRNAMPTGRM5MEN1NPC1
SCHEMBL29136627 0.90 AURKA (0.51) AURKARPS6KB1TOP2ATOP2BMMP1
SCHEMBL29947745 0.90 AURKA (0.51) AURKARPS6KB1TOP2ATOP2BMMP1
SCHEMBL26981117 0.85 GRM5 (0.46) EGFRGRM5MEN1KMT2ALMNA
SCHEMBL29947681 0.84 AURKA (0.53) AURKARPS6KB1TOP2ATOP2BNAMPT
SCHEMBL29136655 0.84 AURKA (0.53) AURKARPS6KB1TOP2ATOP2BNAMPT
SCHEMBL1041911 0.82 MEN1 (0.45) TOP2ATOP2BMEN1NPC1GAA
SCHEMBL12757193 0.82 MEN1 (0.45) TOP2ATOP2BMEN1NPC1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-13 US disclosed
EP-4301417-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES The Research Foundation for The State University of New York (US) 2024-01-10 EP disclosed
WO-2022187809-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-09 WO 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-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES TLR7, TLR8, TLR9 AURKA 4094/4885RPS6KB1 328/4885TOP2A 1168/4885

“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.