SCHEMBL21981909

SCHEMBL21981909

CN1C(=O)C[C@@](C)(c2cccc(N)c2)N/C1=N\C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.39
CYP19A1 P11511 1/20 0.36
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
FSHR P23945 1/20 0.32

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
SCHEMBL17707721 0.86 HCAR3 (0.39) BACE1LDHALDHB
SCHEMBL17707720 0.86 HCAR3 (0.39) BACE1LDHALDHB
SCHEMBL21981814 0.86 HCAR3 (0.39) BACE1LDHALDHB
SCHEMBL21981900 0.82 CYP19A1 (0.34) BACE1CYP19A1OPRM1
SCHEMBL21981876 0.81 BACE1 (0.36) BACE1CYP19A1
SCHEMBL9899510 0.80 BACE1 (0.35) BACE1CYP19A1FSHR
SCHEMBL9899507 0.80 BACE1 (0.35) BACE1CYP19A1FSHR
SCHEMBL21981858 0.80 BACE1 (0.35) BACE1
SCHEMBL21981831 0.80 BACE1 (0.35) BACE1
SCHEMBL14105079 0.79 CYP19A1 (0.43) BACE1CYP19A1OPRM1OPRK1

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-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors UCB Biopharma SRL (BE) 2021-10-05 US disclosed
US-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS CELLTECH R&D LIMITED (GB) 2020-09-10 US disclosed
EP-3380464-B1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SRL (BE) 2020-05-27 EP 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-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS PEPD, ADAM17, ANPEP BACE1 608/4885CYP19A1 2963/4885LDHA 3042/4885
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors PEPD, ADAM17, ANPEP BACE1 608/4885CYP19A1 2963/4885LDHA 3042/4885

“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.