SCHEMBL23005126

SCHEMBL23005126

O=C(O)CCC(NC(=O)c1ccc([N+](=O)[O-])c(Oc2ccccc2)n1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.53
FOLH1 Q04609 3/20 0.42
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
PIN1 Q13526 2/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
GAA P10253 1/20 0.39
P2RY12 Q9H244 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL23005125 1.00 FPR2 (0.53) FPR2FOLH1MYCMAXPIN1
SCHEMBL23005209 0.86 FPR2 (0.51) FPR2FOLH1MYCMAXNAALAD2
SCHEMBL23005210 0.86 FPR2 (0.51) FPR2FOLH1MYCMAXNAALAD2
SCHEMBL23005241 0.83 FPR2 (0.60) FPR2FOLH1NAALAD2CA2CA1
SCHEMBL23005239 0.83 FPR2 (0.60) FPR2FOLH1NAALAD2CA2CA1
SCHEMBL23005187 0.83 FPR2 (0.54) FPR2FOLH1MYCMAXCA2
SCHEMBL23005186 0.83 FPR2 (0.54) FPR2FOLH1MYCMAXCA2
SCHEMBL30945383 0.83 ALDH1A1 (0.42) FPR2MYCMAXPIN1GAA
SCHEMBL29231911 0.83 ALDH1A1 (0.42) FPR2MYCMAXPIN1GAA
SCHEMBL30106811 0.83 ALDH1A1 (0.42) FPR2MYCMAXPIN1GAA

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 FPR2 406/4885FOLH1 282/4885MYC 2305/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 FPR2 435/4885FOLH1 315/4885MYC 2431/4885

“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.