SCHEMBL21816699

SCHEMBL21816699

COc1cc(Br)c([N+](=O)[O-])cc1OC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL228990 0.86 ALDH1A1 (0.58) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL2042498 0.84 ALDH1A1 (0.50) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL30661876 0.84 ALDH1A1 (0.50) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL21816603 0.82 MAPT (0.45) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL25362735 0.81 L3MBTL1 (0.51) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28614706 0.81 MAPT (0.41) MAPTALDH1A1CYP3A4LMNAABCB1
SCHEMBL21816720 0.80 MAPT (0.44) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28016967 0.76 POLB (0.58) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL14660718 0.76 POLB (0.58) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL3470206 0.75 LMNA (0.47) MAPTALDH1A1KDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
CN-108707139-B Aminopyrimidine compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2021-04-06 CN disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US 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-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR MAPT 3540/4885ALDH1A1 1646/4885KDM4E 2752/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR MAPT 3540/4885ALDH1A1 1646/4885KDM4E 2752/4885

“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.