SCHEMBL21816692

SCHEMBL21816692

COc1cc(N(C)C(=O)CN(C)C)c([N+](=O)[O-])cc1NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 6/20 0.40
PTBP1 P26599 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 3/20 0.38
GALR2 O43603 1/20 0.38

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
SCHEMBL26024559 0.86 MMP1 (0.43) ALDH1A1KMT2ALMNAPTBP1MEN1
SCHEMBL20987205 0.83 ALDH1A1 (0.45) ALDH1A1KMT2ALMNANPC1RAB9A
SCHEMBL21816633 0.81 HTT (0.40) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL28549417 0.78 MAPT (0.43) ALDH1A1KMT2ALMNANPC1RAB9A
SCHEMBL2205963 0.77 LMNA (0.43) ALDH1A1KMT2ALMNAPTBP1L3MBTL1
SCHEMBL21949210 0.76 MMP1 (0.41) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL21949614 0.75 MMP1 (0.42) ALDH1A1KMT2ALMNANPC1RAB9A
SCHEMBL21816628 0.74 HCAR3 (0.48) ALDH1A1KMT2ALMNANPC1RAB9A
SCHEMBL21816761 0.74 ABCB1 (0.49) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL20680892 0.74 PKM (0.45) ALDH1A1KMT2ALMNANPC1RAB9A

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 ALDH1A1 1646/4885KMT2A 3524/4885LMNA 4594/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR ALDH1A1 1646/4885KMT2A 3524/4885LMNA 4594/4885

“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.