SCHEMBL23005127

SCHEMBL23005127

O=CN(c1ncc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1F)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.35
MGLL Q99685 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL23005194 0.90 GAA (0.35) MAPTGAAATMMGLLMEN1
SCHEMBL23005242 0.79 RORC (0.38)
SCHEMBL23005128 0.77 FPR2 (0.50) MAPTGAA
SCHEMBL23005129 0.77 FPR2 (0.50) MAPTGAA
SCHEMBL23005174 0.77 FPR2 (0.38) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL23005121 0.74 ALDH1A1 (0.35) MAPTGAAKMT2APOLBALDH1A1
SCHEMBL23005136 0.74 GAA (0.34) MAPTGAAMEN1KMT2APOLB
SCHEMBL23005260 0.73 ALDH1A1 (0.50) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL23005211 0.71 MTHFD1 (0.31)
SCHEMBL23005196 0.71 FPR2 (0.50) MAPTGAAHPGD

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 MAPT 2491/4885GAA 2994/4885ATM 3332/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 MAPT 2335/4885GAA 3099/4885ATM 3310/4885

“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.