SCHEMBL4259573

SCHEMBL4259573

C=CCn1nc2nc3c(nc2n1)-c1ccccc1C3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
AHR P35869 1/20 0.47
CASP3 P42574 1/20 0.45
USP8 P40818 4/20 0.43
USP7 Q93009 1/20 0.43
USP47 Q96K76 1/20 0.43
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.37
CA12 O43570 1/20 0.36

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
SCHEMBL628393 0.84 CASP3 (0.53) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4094506 0.78 RAB9A (0.49) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4094599 0.74 RAB9A (0.56) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8238836 0.69 RAB9A (0.62) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7998771 0.67 RAB9A (0.60) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7984580 0.67 RAB9A (0.60) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL29432454 0.67 RAB9A (0.60) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL824427 0.66 RAB9A (1.00) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4427147 0.66 KDM4E (0.47) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL627775 0.66 TDO2 (0.62) SMN1; SMN2MAPK1HTT

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
EP-1963328-B1 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2013-10-30 EP disclosed
US-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications HYBRIGENICS SA (FR) 2009-07-16 US disclosed
US-7462615-B2 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2008-12-09 US disclosed
EP-1798232-A1 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2007-06-20 EP disclosed
US-20070135439-A1 Novel inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2007-06-14 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 (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-20070135439-A1 Novel inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications SERPINB1, CTSF, CTSE RAB9A 1952/4885MAPT 2097/4885ALDH1A1 1684/4885
US-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications SERPINB1, CTSF, CTSE RAB9A 1952/4885MAPT 2097/4885ALDH1A1 1684/4885

“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.