SCHEMBL25259337

SCHEMBL25259337

CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.60
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
RAB9A P51151 1/20 0.59
VCAM1 P19320 1/20 0.49
TXNRD1 Q16881 4/20 0.48
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1491259 0.78 MEN1 (0.64) PAX8MEN1KMT2ARAB9ATXNRD1
SCHEMBL392828 0.78 MEN1 (0.64) PAX8MEN1KMT2ARAB9AVCAM1
SCHEMBL2316143 0.78 MEN1 (0.64) PAX8MEN1KMT2ARAB9ATXNRD1
SCHEMBL390468 0.78 MEN1 (0.64) PAX8MEN1KMT2ARAB9ATXNRD1
SCHEMBL31193452 0.77 PAX8 (0.60) PAX8MEN1KMT2ARAB9ATXNRD1
SCHEMBL28062114 0.77 PAX8 (0.60) PAX8MEN1KMT2ARAB9ATXNRD1
SCHEMBL8598070 0.77 MEN1 (0.51) PAX8MEN1KMT2ARAB9ATXNRD1
SCHEMBL20476787 0.77 KMT2A (0.71) PAX8MEN1KMT2ARAB9ATXNRD1
Hydrochloric Acid SCHEMBL28105348 0.77 MEN1 (0.62) PAX8MEN1KMT2ARAB9ATXNRD1
SCHEMBL28843109 0.75 PAX8 (0.57) PAX8MEN1KMT2ARAB9ATXNRD1

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-4464699-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Lisen Therapeutics, Inc. (US) 2024-11-20 EP disclosed
US-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF LISEN THERAPEUTICS, INC. 2024-10-31 US disclosed
WO-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 WO disclosed
CN-116444488-A Pyrimidine-2, 4-diamine derivative and preparation method and application thereof 上海立森印迹医药技术有限公司 2023-07-18 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 (1 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-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF DPYD, TYMP, TYMS PAX8 1619/4885MEN1 1205/4885KMT2A 2435/4885

“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.