SCHEMBL5608972

SCHEMBL5608972

Cn1c(CNCc2nc3ccccc3n2C)nc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.73
RAB9A P51151 13/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
LMNA P02545 5/20 0.73
KDM4E B2RXH2 2/20 0.71
TP53 P04637 2/20 0.65
ALDH1A1 P00352 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
PKM P14618 1/20 0.65
ALOX15 P16050 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
MAPT P10636 4/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
GAA P10253 2/20 0.63
GFER P55789 2/20 0.63
MAPK1 P28482 1/20 0.63
POLB P06746 1/20 0.61

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
SCHEMBL30605183 0.93 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL28895620 0.92 NPC1 (0.66) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL30020507 0.92 NPC1 (0.66) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL13972841 0.91 NPC1 (0.67) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL1374759 0.87 NPC1 (0.71) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL28895800 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL30021559 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL28895711 0.85 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL29644215 0.85 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL1057879 0.83 RAB9A (0.57) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-20060094588-A1 Polymerisation and oligomerisation catalysts BARCLAYS BANK PLC (GB) 2006-05-04 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-20060094588-A1 Polymerisation and oligomerisation catalysts CCNA1, AP2M1, AP2A1 NPC1 2996/4885RAB9A 2668/4885SMN1; SMN2 3757/4885

“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.