SCHEMBL5609010

SCHEMBL5609010

O=Cc1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.36
ADORA2A P29274 6/20 0.36
ADORA1 P30542 6/20 0.36
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
BTK Q06187 1/20 0.33
FEN1 P39748 2/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33
TNK2 Q07912 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL12460354 0.80 RAB9A (0.36) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL814162 0.78 MAPT (0.38) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL814420 0.77 ADORA3 (0.34) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL813809 0.76 ADORA3 (0.35) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL813926 0.76 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL813989 0.76 NPC1 (0.34) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL814521 0.75 ALDH1A1 (0.33) ADORA3ADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL814661 0.75 MAPT (0.41) RAB9ANPC1CNR2MEN1KMT2A
SCHEMBL813984 0.74 ADORA3 (0.36) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL814096 0.74 ADORA3 (0.37) ADORA3ADORA2AADORA1MEN1KMT2A

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 8 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
EP-1603957-A1 POLYMERISATION AND OLIGOMERISATION CATALYSTS Innovene Europe Limited (GB) 2005-12-14 EP disclosed
WO-2004083263-A1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INNOVENE EUROPE LIMITED (GB) 2004-09-30 WO 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 ADORA3 946/4885ADORA2A 596/4885ADORA1 401/4885

“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.