SCHEMBL25753678

SCHEMBL25753678

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cccc(-n2cccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SYK P43405 1/20 0.36
RAB9A P51151 2/20 0.36
WDR5 P61964 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
KAT6A Q92794 2/20 0.34
MAPT P10636 2/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLS O94925 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL24036981 1.00 LMNA (0.40) LMNASYKRAB9AWDR5DGAT2
SCHEMBL24036983 0.82 MAPT (0.38) DGAT2KAT6AMAPT
SCHEMBL25753682 0.82 MAPT (0.38) DGAT2KAT6AMAPT
SCHEMBL25623469 0.79 WDR5 (0.31) WDR5
SCHEMBL25754244 0.79 LMNA (0.47) LMNASYKRAB9AWDR5DGAT2
SCHEMBL24036980 0.78 CYP3A4 (0.42) MAPT
SCHEMBL25753686 0.78 CYP3A4 (0.42) MAPT
SCHEMBL24036979 0.78 WDR5 (0.43) LMNAWDR5
SCHEMBL24036985 0.78 KCNA5 (0.47) MAPT
SCHEMBL24037115 0.78 LMNA (0.49) LMNASYKRAB9ADGAT2KAT6A

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 1 patent. 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

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 LMNA 4654/4885SYK 2287/4885RAB9A 905/4885

“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.