SCHEMBL9892988

SCHEMBL9892988

CC(=O)Nc1nc(C(C)(C)C)ns1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CNR2 P34972 1/20 0.46
POLB P06746 2/20 0.45
PIK3CG P48736 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL11226662 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL9891516 0.84 RAB9A (0.55) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL11227159 0.84 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL20458176 0.81 CNR2 (0.43) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL9891818 0.81 NPC1 (0.52) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL9892814 0.75 CNR2 (0.50) SMN1; SMN2NPC1RAB9ALMNACNR2
SCHEMBL24491053 0.75 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL9852284 0.75 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL24491070 0.75 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL23966912 0.73 CCNE1 (0.48) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA

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-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (4 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-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 SMN1; SMN2 3247/4885L3MBTL1 2166/4885NPC1 414/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 SMN1; SMN2 3670/4885L3MBTL1 1661/4885NPC1 348/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4609/4885L3MBTL1 4308/4885NPC1 1779/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4659/4885L3MBTL1 4514/4885NPC1 1904/4885

“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.