SCHEMBL21494622

SCHEMBL21494622

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCC#N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.53
CTSK P43235 16/20 0.53
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CAPN1 P07384 1/20 0.45

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
SCHEMBL21494626 1.00 CTSS (0.53) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL28505707 0.93 CTSS (0.55) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL21515090 0.89 CTSS (0.49) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL28905974 0.89 CTSS (0.49) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL15512548 0.85 MEN1 (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL13318956 0.84 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL13318958 0.84 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL5997785 0.84 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL3022636 0.84 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL30684511 0.83 MEN1 (0.58) CTSSCTSKCAPN1

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 6 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
EP-3781554-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY Thomas Helledays stiftelse för medicinsk forskning (SE) 2021-02-24 EP disclosed
WO-2019201991-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-10-24 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 (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 CTSS 4585/4885CTSK 4347/4885CTSL 4353/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 CTSS 4619/4885CTSK 4373/4885CTSL 4399/4885

“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.