Sugi Predict

Sugi Predict / Compounds / SCHEMBL6448847

SCHEMBL6448847

SCHEMBL6448847

NN=C(N)c1ncccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 5/20 0.37
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ AGER Q15109 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
SCHEMBL30508919 1.00 PLAU (0.37) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL6452469 0.85 PLAU (0.37) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL19356897 0.85 PLAU (0.37) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL6461091 0.78 RRM1 (0.39) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL5263016 0.77 PLAU (0.50) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL5263024 0.77 PLAU (0.50) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL28826447 0.76 KDM4E (0.35) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL518833 0.76 KDM4E (0.44) ALDH1A1MAPTKDM4ECYP3A4ALOX15
Hydrochloric Acid SCHEMBL5730020 0.74 KMT2A (0.38) PLAUMEN1ALDH1A1MAPTKMT2A
SCHEMBL6450672 0.73 GAA (0.44) MEN1KMT2ATDP1

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 6 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
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 — — 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 (2 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC PLAU 3775/4885MEN1 3473/4885ALDH1A1 287/4885
US-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 PLAU 4004/4885MEN1 1114/4885ALDH1A1 72/4885

“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.