SCHEMBL24036552

SCHEMBL24036552

COC(=O)C[C@H](NC(=O)CN)c1cccc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
KMO O15229 1/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AOC3 Q16853 2/20 0.41

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
SCHEMBL24036828 0.83 CYP3A4 (0.41) CYP3A4KCNQ3KCNQ2CYP1A2CYP19A1
SCHEMBL25624043 0.82 CYP3A4 (0.48) CYP3A4KCNQ3KCNQ2CYP1A2CYP19A1
SCHEMBL25753686 0.79 CYP3A4 (0.42) CYP3A4KCNQ3KCNQ2CYP1A2CYP19A1
SCHEMBL24036980 0.79 CYP3A4 (0.42) CYP3A4KCNQ3KCNQ2CYP1A2CYP19A1
SCHEMBL24036950 0.79 TACR3 (0.39) MEN1KMT2AMAPTPOLB
SCHEMBL25754244 0.77 LMNA (0.47)
SCHEMBL24036729 0.76 MAPT (0.42) MAPTALDH1A1POLB
SCHEMBL24036731 0.76 WDR5 (0.50) MEN1KMT2AAOC3ALDH1A1
SCHEMBL24036727 0.76 KCNA5 (0.47) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL24036726 0.75 ROCK2 (0.39) KMT2APOLB

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
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO disclosed
WO-2021230325-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE 宇部興産株式会社 2021-11-18 WO 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 CYP3A4 92/4885KCNQ3 1839/4885KCNQ2 1362/4885

“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.