SCHEMBL21291552

SCHEMBL21291552

Cn1cc(Br)nc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.33
MITF O75030 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
ALPL P05186 1/20 0.31
APEX1 P27695 1/20 0.31
APOBEC3A P31941 1/20 0.31

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
SCHEMBL5353581 0.78 MITF (0.46) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL5140262 0.72 L3MBTL1 (0.40) KDM4EALDH1A1LMNAMITFCYP2C19
SCHEMBL10962407 0.69 ATM (0.37) KDM4EALDH1A1MAPTLMNAMITF
SCHEMBL25372909 0.69 MITF (0.43) ALDH1A1MAPTLMNAMITFKMT2A
SCHEMBL3282371 0.68 ALDH1A1 (0.44) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL17135001 0.67 LMNA (0.32) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL13338127 0.66 ALDH1A1 (0.35) GAAKDM4EALDH1A1MITF
SCHEMBL12208209 0.65 HTT (0.33) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL5140534 0.65 MITF (0.49) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL104447 0.64

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
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof ZHEJIANG UNIVERSITY (CN) 2023-02-28 US disclosed
EP-3530657-B1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE UNIV ZHEJIANG (CN) 2022-04-13 EP disclosed
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2021-09-16 US disclosed
EP-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 EP 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 (3 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-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 GAA 2394/4885KDM4E 913/4885ALDH1A1 3029/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 GAA 2394/4885KDM4E 913/4885ALDH1A1 3029/4885
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 GAA 2394/4885KDM4E 913/4885ALDH1A1 3029/4885

“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.