SCHEMBL5732345

SCHEMBL5732345

CC(C)(C)OC(=O)NC(Cc1ncnc2c1ncn2C1CCCCO1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APEX1 P27695 1/20 0.42
PI4KA P42356 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ADCY1 Q08828 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL5732339 1.00 CYP2C19 (0.47) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5732348 1.00 CYP2C19 (0.47) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5732334 1.00 CYP2C19 (0.47) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5732295 0.86 NPC1 (0.45) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5732299 0.86 NPC1 (0.45) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5732302 0.86 NPC1 (0.45) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5732305 0.86 NPC1 (0.45) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17009435 0.79 CYP2C19 (0.54) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1002031 0.75 CYP2C19 (0.49) CYP2C19NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5731544 0.74 PRKAB2 (0.52) SMN1; SMN2TP53ALDH1A1NPEPPSDOT1L

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-20060128956-A1 (Purin-6-yl) amino acid and production method thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-06-15 US disclosed
EP-1615926-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 2006-01-18 EP disclosed
WO-2004094426-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF USTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED CESKÉ REPUBLIKY (CZ) 2004-11-04 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-20060128956-A1 (Purin-6-yl) amino acid and production method thereof PRPF3, PURB, PRPF31 CYP2C19 4041/4885NPC1 4195/4885RAB9A 3789/4885

“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.