SCHEMBL221129

SCHEMBL221129

CCCC[Sn](CCCC)(CCCC)c1cccc(N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
PDE10A Q9Y233 2/20 0.39
SHMT2 P34897 2/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PRKDC P78527 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL3850029 0.85 HTR3A (0.51) ALDH1A1KDM4E
SCHEMBL31098172 0.79 ALDH1A1 (0.40) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL12615558 0.77 MEN1 (0.43) SHMT2ALDH1A1PIK3CDPIK3CATSHR
SCHEMBL3560009 0.77 ALDH1A1 (0.39) GAAHTTALDH1A1KDM4EHPGD
SCHEMBL7262263 0.74 TLR8 (0.37)
SCHEMBL6843345 0.74 GAA (0.59) GAAPDE10AHTTALDH1A1KDM4E
SCHEMBL27159771 0.73 POLB (0.44) GAAHTTALDH1A1KDM4EHPGD
SCHEMBL28107841 0.73 LMNA (0.49) GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL2213423 0.73 ALDH1A1 (0.47) GAAHTTALDH1A1KDM4EHPGD
SCHEMBL10272910 0.72 PDE10A (0.53) GAAPDE10AHTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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 (5 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 GAA 4780/4885PDE10A 4601/4885SHMT2 2422/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 GAA 4848/4885PDE10A 4240/4885SHMT2 2614/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 GAA 1247/4885PDE10A 1556/4885SHMT2 1055/4885
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 GAA 2424/4885PDE10A 3381/4885SHMT2 332/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 GAA 4758/4885PDE10A 4549/4885SHMT2 2494/4885

“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.