SCHEMBL23005245

SCHEMBL23005245

Nc1ccc(N(C=O)[C@@H](CCC(=O)O)C(=O)O)nc1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
NR4A2 P43354 6/20 0.33
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ABCC4 O15439 1/20 0.33
C5 P01031 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TBXA2R P21731 1/20 0.33
NR4A1 P22736 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL23005237 0.81 EPOR (0.42) EPORCPA3FPR2
SCHEMBL23005179 0.81 FPR2 (0.32) TSHRCYP2C19CPA3FPR2
SCHEMBL23005147 0.80 ALDH1A1 (0.40) KDM4ELMNAFPR2
SCHEMBL29231883 0.79
SCHEMBL23005130 0.76 FPR2 (0.35) FPR2
SCHEMBL23005124 0.70 EPOR (0.40) CYP1A2HPGDTSHREPOR
SCHEMBL23005247 0.68 FPR2 (0.58) FPR2NAALAD2DHFR
SCHEMBL23005250 0.68 FPR2 (0.58) FPR2NAALAD2DHFR
SCHEMBL23005207 0.68 MEN1 (0.34) CYP1A2
SCHEMBL23005144 0.66 FPR2 (0.39) 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 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 CYP1A2 2815/4885NR4A2 2068/4885RXRA 3897/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 CYP1A2 2641/4885NR4A2 1979/4885RXRA 3724/4885

“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.