SCHEMBL23005262

SCHEMBL23005262

O=C(O)CCC(NC(=O)c1ncc([N+](=O)[O-])cc1C(F)(F)F)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.51
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.41
FOLH1 Q04609 4/20 0.40
MTHFD1 P11586 1/20 0.39
MTHFD2 P13995 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
FOLR2 P14207 1/20 0.38
FOLR1 P15328 1/20 0.38
GART P22102 1/20 0.38
SLC19A1 P41440 1/20 0.38
SLC46A1 Q96NT5 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
DGAT1 O75907 1/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL23005261 1.00 FPR2 (0.51) FPR2KDM4EHPGDALDH1A1FOLH1
SCHEMBL23005137 0.84 FPR2 (0.49) FPR2KDM4EHPGDFOLH1MTHFD1
SCHEMBL23005122 0.84 FPR2 (0.49) FPR2KDM4EHPGDALDH1A1FOLH1
SCHEMBL23005138 0.84 FPR2 (0.49) FPR2KDM4EHPGDFOLH1MTHFD1
SCHEMBL23005123 0.84 FPR2 (0.49) FPR2KDM4EHPGDALDH1A1FOLH1
SCHEMBL23005114 0.82 FPR2 (0.58) FPR2KDM4EHPGDFOLH1MTHFD1
SCHEMBL23005113 0.82 FPR2 (0.58) FPR2KDM4EHPGDFOLH1MTHFD1
SCHEMBL30106799 0.80 ALDH1A1 (0.48) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL28513243 0.80 ALDH1A1 (0.48) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL28513242 0.80 ALDH1A1 (0.48) KDM4EHPGDALDH1A1LMNAMAPT

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 2 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-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 (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-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 FPR2 435/4885KDM4E 2274/4885HPGD 604/4885

“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.