SCHEMBL23005207

SCHEMBL23005207

COc1nc(N(C=O)[C@@H](CCC(=O)O)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
FOLH1 Q04609 1/20 0.33
TXNRD1 Q16881 1/20 0.33
FBP1 P09467 2/20 0.32
IMPDH2 P12268 1/20 0.32
MERTK Q12866 1/20 0.32
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
GRM8 O00222 3/20 0.32
GRM4 Q14833 3/20 0.32
GRM6 O15303 2/20 0.32
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL23005124 0.87 EPOR (0.40) MEN1CYP1A2KMT2AFOLH1MERTK
SCHEMBL23005185 0.86 FOLH1 (0.32) FOLH1
SCHEMBL23005204 0.77 FPR2 (0.38) MEN1KMT2AFOLH1ALDH1A1MAPT
SCHEMBL29231908 0.73 PIN1 (0.36) MEN1CYP1A2KMT2AMERTKALDH1A1
SCHEMBL23005237 0.72 EPOR (0.42) MEN1KMT2AFOLH1ALDH1A1
SCHEMBL23005130 0.71 FPR2 (0.35)
SCHEMBL23005210 0.70 FPR2 (0.51) FOLH1MYCMAX
SCHEMBL23005209 0.70 FPR2 (0.51) FOLH1MYCMAX
SCHEMBL19171762 0.69 TXNRD1 (0.48) TXNRD1MERTKALDH1A1MAPTHTT
SCHEMBL23005179 0.68 FPR2 (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 EP disclosed
US-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2023-04-13 US disclosed
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY MEDICINSK FORSKNING (SE) 2021-02-25 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-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 MEN1 497/4885CYP1A2 2815/4885KMT2A 2290/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 MEN1 596/4885CYP1A2 2641/4885KMT2A 2317/4885

“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.