SCHEMBL4094599

SCHEMBL4094599

Cn1nc2nc3c(nc2n1)-c1ccccc1C3=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
AHR P35869 1/20 0.56
USP8 P40818 4/20 0.50
USP7 Q93009 1/20 0.50
USP47 Q96K76 1/20 0.50
MAPK13 O15264 1/20 0.49
EIF2AK2 P19525 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.45
CTSL P07711 1/20 0.43
PTPRC P08575 1/20 0.43
CTSS P25774 1/20 0.43
PTPN13 Q12923 1/20 0.43

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
SCHEMBL4094506 0.76 RAB9A (0.49) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL18122168 0.76 MAPK13 (0.53) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL8238836 0.76 RAB9A (0.62) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL4259573 0.74 RAB9A (0.47) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL29432454 0.74 RAB9A (0.60) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL7984580 0.74 RAB9A (0.60) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL7998771 0.74 RAB9A (0.60) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL824427 0.72 RAB9A (1.00) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL10050483 0.70 USP8 (0.83) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL14532729 0.69 RAB9A (0.73) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications HYBRIGENICS SA (FR) 2009-07-16 US claimed
EP-1798232-A1 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2007-06-20 EP claimed
US-20070135439-A1 Novel inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2007-06-14 US claimed
EP-1963328-B1 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2013-10-30 EP disclosed
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-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
US-7462615-B2 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2008-12-09 US disclosed
EP-1963328-A2 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS Hybrigenics S.A. (FR) 2008-09-03 EP 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
EP-1798232-A1 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2007-06-20 EP disclosed
WO-2007066200-A2 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2007-06-14 WO 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
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 2097/4885SMN1; SMN2 4147/4885
US-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications SERPINB1, CTSF, CTSE RAB9A 1952/4885MAPT 2097/4885SMN1; SMN2 4147/4885

“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.