SCHEMBL5582500

SCHEMBL5582500

Nc1nc([AsH2])nc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.33
PDPK1 O15530 1/20 0.33
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
PNP P00491 1/20 0.31
LMNA P02545 1/20 0.31
DRD3 P35462 1/20 0.31
PI4KA P42356 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 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
SCHEMBL2030088 0.79 KDM4E (0.31) ALDH1A1TP53HPGDPTGS1HBB
2,6-Diaminopurine SCHEMBL24052 0.79 GDA (0.48) GDAPDPK1XDHUSP2ALDH1A1
2,6-Diaminopurine SCHEMBL29444619 0.79 GDA (0.48) GDAPDPK1XDHUSP2ALDH1A1
2,6-Diaminopurine SCHEMBL6423146 0.78 GDA (0.47) GDAPDPK1XDHUSP2ALDH1A1
2,6-Diaminopurine SCHEMBL8757968 0.78 GDA (0.47) GDAPDPK1XDHUSP2ALDH1A1
SCHEMBL6545701 0.76 GDA (0.34) GDAPDPK1XDHUSP2ALDH1A1
SCHEMBL842437 0.76 CSNK2A1 (0.36) GDAPDPK1XDHUSP2ALDH1A1
Isoguanine SCHEMBL887740 0.76 PARP1 (0.36) GDAPDPK1XDHUSP2ALDH1A1
SCHEMBL8850 0.76 GDA (0.33) GDAPDPK1XDHUSP2ALDH1A1
SCHEMBL22700248 0.76 GDA (0.33) GDAPDPK1XDHUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777270-B2 Methods and compositions for selecting siRNA of improved functionality THERMO FISHER SCIENTIFIC INC. (US) 2017-10-03 US disclosed
US-20160201058-A1 METHODS AND COMPOSITIONS FOR SELECTING siRNA OF IMPROVED FUNCTIONALITY DHARMACON, INC. 2016-07-14 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
EP-1791567-A2 CHEMICALLY MODIFIED OLIGONUCLEOTIDES Alnylam Pharmaceuticals Inc. (US) 2007-06-06 EP disclosed
WO-2006020768-A2 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-23 WO disclosed
WO-2004001027-A1 OLIGONUCLEOTIDE INHIBITORS OF MBD2/DNA DEMETHYLASE AND USES THEREOF MCGILL UNIVERSITY (CA) 2003-12-31 WO disclosed
US-6300320-B1 OLIGONUCLEOTIDES HYBRIDIZED WITH NUCLEIC ACIDS FOR TREATMENT OF CANCER OF THE BLADDER, BONES, LUNGS OR CENTRAL NERVOUS SYSTEMS ISIS PHARMACEUTICALS, INC. 2001-10-09 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-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA GDA 629/4885PDPK1 2921/4885XDH 2041/4885

“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.