SCHEMBL23005136

SCHEMBL23005136

O=CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.32
GRIA2 P42262 1/20 0.32
MAPT P10636 5/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL23005121 0.87 ALDH1A1 (0.35) GAAHTTALDH1A1KMT2AMAPT
SCHEMBL23005260 0.84 ALDH1A1 (0.50) GAAHTTALDH1A1KMT2AMAPT
SCHEMBL23005116 0.83 FPR2 (0.31) TRPM8
SCHEMBL23005194 0.81 GAA (0.35) GAAHTTALDH1A1KMT2AMAPT
SCHEMBL29231834 0.80 GLA (0.39) ALDH1A1KMT2AMAPTTDP1L3MBTL1
SCHEMBL23005169 0.77 FPR2 (0.39) HTTALDH1A1KMT2AMAPTLMNA
SCHEMBL23005211 0.73 MTHFD1 (0.31)
SCHEMBL23005198 0.70 EPOR (0.32)
SCHEMBL23005174 0.69 FPR2 (0.38) HTTALDH1A1KMT2AMAPTPOLB
SCHEMBL23005137 0.69 FPR2 (0.49)

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 GAA 2994/4885HTT 3845/4885ALDH1A1 254/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 GAA 3099/4885HTT 3706/4885ALDH1A1 199/4885

“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.