SCHEMBL21291535

SCHEMBL21291535

Cn1nc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
GRK5 P34947 1/20 0.39
LIMK1 P53667 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.35
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
HTT P42858 2/20 0.34
MITF O75030 1/20 0.34
ALPL P05186 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CA1 P00915 3/20 0.34

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
SCHEMBL18418866 0.78 CHEK1 (0.40) CHEK1DAPK3GRK5LIMK1LMNA
SCHEMBL12025942 0.78 CHEK1 (0.43) CHEK1DAPK3GRK5LIMK1LMNA
SCHEMBL12410027 0.77 CHEK1 (0.37) CHEK1DAPK3GRK5LIMK1LMNA
SCHEMBL4388002 0.76 MAPK1 (0.34) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL21582003 0.76 SMN1; SMN2 (0.38) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL12494921 0.73 PKM (0.37) CHEK1DAPK3GRK5LIMK1LMNA
SCHEMBL15834231 0.72 CHEK1 (0.36) CHEK1DAPK3GRK5LIMK1LMNA
SCHEMBL15813569 0.72 VCAM1 (0.37) CHEK1DAPK3GRK5LIMK1LMNA
SCHEMBL15814352 0.72 L3MBTL1 (0.37) CHEK1DAPK3GRK5LIMK1LMNA
SCHEMBL15764571 0.72 MAPT (0.48) CHEK1DAPK3GRK5LIMK1LMNA

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 8 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
CN-106588884-B Polysubstituted aromatic ring-the pyridine derivatives of 2- and preparation and medical usage 浙江大学 2019-04-09 CN disclosed
CN-106588884-A 2-polysubstituted aromatic ring-pyrimidine derivative and preparation and medical application 浙江大学 2017-04-26 CN 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 CHEK1 1/4885DAPK3 909/4885GRK5 563/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 CHEK1 1/4885DAPK3 909/4885GRK5 563/4885
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 CHEK1 1/4885DAPK3 909/4885GRK5 563/4885

“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.