SCHEMBL30508644

SCHEMBL30508644

CNC(=O)c1cc(C)n(-c2nc(Cl)ccc2C(C)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.47
NPY5R Q15761 6/20 0.44
MALT1 Q9UDY8 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL25943085 1.00 BAZ2B (0.47) BAZ2BNPY5RMALT1NFKB1NFKB2
SCHEMBL25946388 0.83 MEN1 (0.39) NPY5RMEN1KMT2AL3MBTL1NPC1
SCHEMBL25942572 0.81 HSD17B10 (0.50) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25943104 0.79 MEN1 (0.36) NPY5RMEN1KMT2AL3MBTL1NPC1
SCHEMBL25946382 0.77 MEN1 (0.35) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25318477 0.76 MEN1 (0.37) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL30508578 0.76 MEN1 (0.37) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL25942985 0.74 TSHR (0.42) KMT2AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL17055465 0.73 MALT1 (0.71) BAZ2BNPY5RMALT1NFKB1NFKB2
SCHEMBL25946384 0.73 ALDH1A1 (0.33) MEN1KMT2AL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
CN-118591534-A Novel benzimidazole pyridine derivatives 豪夫迈·罗氏有限公司 2024-09-03 CN disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 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-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 BAZ2B 387/4885NPY5R 1737/4885MALT1 2953/4885

“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.