SCHEMBL23005124

SCHEMBL23005124

O=CN(c1ccc([N+](=O)[O-])c(Oc2ccccc2)n1)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 4/20 0.40
PIN1 Q13526 4/20 0.39
MERTK Q12866 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
XDH P47989 1/20 0.34
HPSE Q9Y251 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
FOLH1 Q04609 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
SELP P16109 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL23005207 0.87 MEN1 (0.34) MERTKMEN1KMT2ACYP1A2FOLH1
SCHEMBL23005237 0.84 EPOR (0.42) EPORMEN1KMT2AFOLH1ALDH1A1
SCHEMBL23005185 0.83 FOLH1 (0.32) FOLH1
SCHEMBL29231908 0.83 PIN1 (0.36) PIN1MERTKMEN1KMT2ANPC1
SCHEMBL23005229 0.78 FPR2 (0.41) EPORMEN1KMT2ACYP1A2FOLH1
SCHEMBL23005126 0.72 FPR2 (0.53) PIN1FOLH1
SCHEMBL23005125 0.72 FPR2 (0.53) PIN1FOLH1
SCHEMBL23005245 0.70 CYP1A2 (0.34) EPORCYP1A2TSHRHPGD
SCHEMBL23005130 0.69 FPR2 (0.35)
SCHEMBL29231822 0.67 CYP1A2 (0.37) MEN1KMT2ANPC1RAB9ACYP1A2

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 EPOR 1729/4885PIN1 927/4885MERTK 1400/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 EPOR 1635/4885PIN1 980/4885MERTK 1464/4885

“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.