SCHEMBL30455961

SCHEMBL30455961

CC(C)(C)[Si](OCCC(O)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSS P25774 6/20 0.42
CTSL P07711 5/20 0.42
CTSB P07858 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CTSK P43235 5/20 0.40
HTT P42858 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 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
SCHEMBL30873034 0.89 SYK (0.47) SYKLMNASMN1; SMN2CTSSCTSL
SCHEMBL29071901 0.89 SYK (0.47) SYKLMNASMN1; SMN2CTSSCTSL
SCHEMBL30456499 0.88 SYK (0.44) SYKLMNASMN1; SMN2CTSSCTSL
SCHEMBL30583504 0.85 SYK (0.42) SYKSMN1; SMN2CTSSCTSLCTSB
SCHEMBL21814930 0.85 CYP3A4 (0.39) SMN1; SMN2MAPTHTT
SCHEMBL5724218 0.84 SMN1; SMN2 (0.60) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL23455745 0.82 ITGB3 (0.50) CTSSCTSLCTSBITGB3ITGA2B
SCHEMBL23455744 0.82 ITGB3 (0.50) CTSSCTSLCTSBITGB3ITGA2B
SCHEMBL14296506 0.82 ALDH1A1 (0.41) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL4316109 0.80 CHRNB2 (0.39) SMN1; SMN2MAPTITGB3ITGA2BHTT

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-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine INSILICO MEDICINE IP LIMITED (HK) 2025-05-08 US disclosed
EP-4455132-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Insilico Medicine IP Limited (HK) 2024-10-30 EP disclosed
WO-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 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-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine DPYD, TYMP, NUDT1 SYK 386/4885LMNA 3115/4885SMN1; SMN2 1840/4885

“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.