SCHEMBL5041765

SCHEMBL5041765

CCOC(=O)c1cn(C)c(SC)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
GABRA2 P47869 5/20 0.45
GABRB2 P47870 5/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL23053066 0.81 GAA (0.42) CYP1A2GAAKDM4EALDH1A1HPGD
SCHEMBL16519359 0.80 CYP1A2 (0.53) CYP1A2GAAKDM4EALDH1A1HPGD
SCHEMBL1001660 0.78 CYP1A2 (0.50) CYP1A2GAAKDM4EALDH1A1HPGD
SCHEMBL26311965 0.78 GAA (0.52) CYP1A2GAAKDM4EALDH1A1HPGD
SCHEMBL16268836 0.78 CYP1A2 (0.50) CYP1A2GAAKDM4EALDH1A1HPGD
SCHEMBL25658525 0.78 CYP1A2 (0.50) CYP1A2GAAKDM4EALDH1A1HPGD
SCHEMBL8466902 0.76 GAA (0.38) CYP1A2GAAKDM4EALDH1A1HPGD
SCHEMBL18785383 0.76 GABRA2 (0.49) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL1277651 0.76 GABRA2 (0.53) CYP1A2GAAGABRA2GABRB2
SCHEMBL20379028 0.73 CYP1A2 (0.45) CYP1A2GAAKDM4EALDH1A1HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
US-7329668-B2 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-12 US disclosed
US-7329668-B2 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-12 US disclosed
US-7071333-B2 Triazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-04 US disclosed
US-20050038054-A1 Triazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2005-02-17 US disclosed
WO-2005011609-A2 TRIAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-10 WO disclosed
US-20040204432-A1 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004075846-A2 PYRAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-10 WO disclosed
EP-0785937-A1 2-(IMIDAZOL-4-YL)CARBAPENEME DERIVATIVES, INTERMEDIATES THEREOF AND USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-30 EP disclosed
WO-1996011932-A1 2-(IMIDAZOL-4-YL)CARBAPENEME DERIVATIVES, INTERMEDIATES THEREOF AND USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1996-04-25 WO disclosed
EP-0605524-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1994-07-13 EP disclosed
WO-1993006118-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1993-04-01 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-20050038054-A1 Triazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same TPMT, TYMP, HPRT1 CYP1A2 172/4885GAA 3407/4885KDM4E 1442/4885
US-20040204432-A1 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same TPMT, HPRT1, TYMP CYP1A2 173/4885GAA 3590/4885KDM4E 1548/4885

“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.