SCHEMBL23005204

SCHEMBL23005204

COc1nc(N(C=O)[C@@H](CCC(=O)O)C(=O)O)ccc1NC(=O)CCl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.38
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KEAP1 Q14145 2/20 0.31
FOLH1 Q04609 1/20 0.31
CASP2 P42575 1/20 0.30
MEP1B Q16820 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 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
SCHEMBL23005229 0.88 FPR2 (0.41) FPR2MAPTMEN1KMT2AALDH1A1
SCHEMBL23005144 0.83 FPR2 (0.39) FPR2MEN1KMT2AALDH1A1HTT
SCHEMBL23005147 0.82 ALDH1A1 (0.40) FPR2MAPTMEN1KMT2AALDH1A1
SCHEMBL21494601 0.81 FPR2 (0.65) FPR2
SCHEMBL23005207 0.77 MEN1 (0.34) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL23005205 0.73 FPR2 (0.65) FPR2KDM4E
SCHEMBL23005206 0.73 FPR2 (0.65) FPR2KDM4E
SCHEMBL21494682 0.70 FPR2 (0.66) FPR2
SCHEMBL23005237 0.69 EPOR (0.42) FPR2MEN1KMT2AALDH1A1FOLH1
SCHEMBL23005130 0.69 FPR2 (0.35) FPR2

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 435/4885MAPT 2335/4885MEN1 596/4885

“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.