SCHEMBL23005209

SCHEMBL23005209

COc1nc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.51
MYC P01106 2/20 0.45
MAX P61244 2/20 0.45
FOLH1 Q04609 2/20 0.44
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
TYMS P04818 2/20 0.41
P2RY12 Q9H244 1/20 0.41
GART P22102 1/20 0.39
ATIC P31939 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NAALAD2 Q9Y3Q0 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
SCHEMBL23005210 1.00 FPR2 (0.51) FPR2MYCMAXFOLH1CA2
SCHEMBL23005125 0.86 FPR2 (0.53) FPR2MYCMAXFOLH1CA2
SCHEMBL23005126 0.86 FPR2 (0.53) FPR2MYCMAXFOLH1CA2
SCHEMBL23005187 0.85 FPR2 (0.54) FPR2MYCMAXFOLH1CA2
SCHEMBL23005186 0.85 FPR2 (0.54) FPR2MYCMAXFOLH1CA2
SCHEMBL30106802 0.81 ALDH1A1 (0.45) MYCMAXKDM4EHPGD
SCHEMBL23005205 0.77 FPR2 (0.65) FPR2CA2CA1P2RY12GART
SCHEMBL23005206 0.77 FPR2 (0.65) FPR2CA2CA1P2RY12GART
SCHEMBL15507763 0.76 MYC (0.47) MYCMAX
SCHEMBL30870967 0.76 MYC (0.47) MYCMAX

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218858-B 2, 6-Diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-06-18 CN disclosed
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 406/4885MYC 2305/4885MAX 4546/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 FPR2 435/4885MYC 2431/4885MAX 4528/4885

“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.