SCHEMBL6545701

SCHEMBL6545701

Nc1nc([O])nc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.34
PNP P00491 2/20 0.34
PDPK1 O15530 1/20 0.33
PARP1 P09874 1/20 0.33
DPP4 P27487 1/20 0.32
XDH P47989 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPK3 P27361 1/20 0.31
HBB P68871 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
LMNA P02545 1/20 0.31
DRD3 P35462 1/20 0.31

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
2,6-Diaminopurine SCHEMBL29444619 0.79 GDA (0.48) GDAPNPPDPK1DPP4XDH
2,6-Diaminopurine SCHEMBL24052 0.79 GDA (0.48) GDAPNPPDPK1DPP4XDH
2,6-Diaminopurine SCHEMBL8757968 0.78 GDA (0.47) GDAPNPPDPK1DPP4XDH
2,6-Diaminopurine SCHEMBL6423146 0.78 GDA (0.47) GDAPNPPDPK1DPP4XDH
SCHEMBL94773 0.76 GDA (0.33) GDAPNPPDPK1PARP1XDH
SCHEMBL5582500 0.76 GDA (0.33) GDAPNPPDPK1PARP1XDH
SCHEMBL11977311 0.76 GDA (0.33) GDAPNPPDPK1PARP1XDH
SCHEMBL22700248 0.76 GDA (0.33) GDAPNPPDPK1PARP1XDH
SCHEMBL497198 0.76 KMT2A (0.36) GDAPNPPDPK1PARP1XDH
SCHEMBL842437 0.76 CSNK2A1 (0.36) GDAPNPPDPK1PARP1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
EP-0815853-B1 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-21 EP disclosed
US-20010038854-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 EP 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-20010038854-A1 Sustained-release preparation BMP2, PGF, AREG GDA 3127/4885PNP 2449/4885PDPK1 3957/4885

“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.