SCHEMBL6764632

SCHEMBL6764632

CCCc1nc(-c2ccccn2)c(-c2cc(C)cc(C)c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
NPY5R Q15761 1/20 0.38
MAPK14 Q16539 2/20 0.38
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
CBFB Q13951 2/20 0.38
GRM5 P41594 2/20 0.38
TGFBR1 P36897 2/20 0.38
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
NR1I2 O75469 1/20 0.36
NMBR P28336 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
SCHEMBL6761705 0.90 TGFBR1 (0.44) NPC1KDM4EADORA2AADORA1NPY5R
SCHEMBL6759912 0.84 KDM4E (0.40) NPC1KDM4EMAPK14METAP2METAP1
SCHEMBL6757498 0.81 KDM4E (0.49) NPC1KDM4ENPY5RMETAP2METAP1
SCHEMBL6764672 0.81 NPC1 (0.42) NPC1KDM4EADORA3ADORA2AADORA1
SCHEMBL6757461 0.79 ULK1 (0.48) NPC1KDM4EADORA2AADORA1MAPK14
SCHEMBL8924110 0.77 ESR1 (0.45) NPC1KDM4EMETAP2METAP1CBFB
SCHEMBL6762551 0.77 KDM4E (0.51) NPC1KDM4EADORA3ADORA2AADORA1
SCHEMBL6762500 0.76 GRM5 (0.49) NPC1KDM4ENPY5RMAPK14METAP2
SCHEMBL38661790 0.74 KDM4E (0.43) NPC1KDM4ENPY5RMAPK14METAP2
SCHEMBL38662531 0.74 MEN1 (0.43) NPC1KDM4ENPY5RMAPK14METAP2

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
US-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US claimed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US claimed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP claimed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO claimed
US-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 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 (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-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 NPC1 1966/4885KDM4E 3032/4885ADORA3 159/4885
US-20040220230-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 NPC1 1327/4885KDM4E 3188/4885ADORA3 175/4885

“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.