SCHEMBL21816628

SCHEMBL21816628

CNc1cc(OC)c(NC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.48
HTT P42858 2/20 0.46
MAPT P10636 6/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1694595 0.85 MAPT (0.49) HTTMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL21816761 0.83 ABCB1 (0.49) HTTMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL20680892 0.83 PKM (0.45) HTTMAPTPKMALDH1A1MEN1
SCHEMBL21949213 0.83 HTT (0.46) HCAR3HTTMAPTPKMALDH1A1
SCHEMBL21816714 0.82 L3MBTL1 (0.50) HTTMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL9395834 0.81 ALDH1A1 (0.54) HCAR3HTTMAPTALDH1A1MEN1
SCHEMBL1724987 0.81 HCAR3 (0.52) HCAR3HTTMAPTPKMALDH1A1
SCHEMBL7700537 0.80 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2893340 0.79 HCAR3 (0.45) HCAR3HTTMAPTALDH1A1SMN1; SMN2
SCHEMBL2243236 0.78 CHEK1 (0.47) HCAR3HTTMAPTALDH1A1SMN1; SMN2

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-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
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 HCAR3 3143/4885HTT 4452/4885MAPT 3540/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR HCAR3 3143/4885HTT 4452/4885MAPT 3540/4885

“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.