SCHEMBL1088574

SCHEMBL1088574

Cc1csc(CN2CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.49
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CXCR4 P61073 6/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2C P18825 1/20 0.37
CCR2 P41597 1/20 0.37
CXCL12 P48061 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 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
SCHEMBL12126285 0.80 HRH3 (0.51) BAZ2AALOX15LMNAMEN1KMT2A
SCHEMBL27870171 0.80 ALDH1A1 (0.45) BAZ2AALOX15LMNASIGMAR1MEN1
SCHEMBL4914482 0.80 BAZ2A (0.44) BAZ2AALOX15LMNASIGMAR1MEN1
SCHEMBL27324327 0.80 BAZ2A (0.44) BAZ2AALOX15LMNASIGMAR1MEN1
SCHEMBL4914470 0.80 KMT2A (0.53) BAZ2AMEN1KMT2AALDH1A1HRH3
SCHEMBL25145880 0.76 BAZ2A (0.41) BAZ2AALOX15SIGMAR1MEN1KMT2A
SCHEMBL27324746 0.76 BAZ2A (0.44) BAZ2AALOX15SIGMAR1MEN1KMT2A
SCHEMBL13458732 0.75 BAZ2A (0.51) BAZ2AMEN1KMT2AALDH1A1HRH3
SCHEMBL11624665 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL1907886 0.74 PARP1 (0.43) BAZ2ALMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
CN-101087794-B Pharmaceutical compounds HOFFMANN LA ROCHE 2011-05-18 CN disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
CN-101087794-A Pharmaceutical compounds PIRAMED LTD (GB) 2007-12-12 CN disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 BAZ2A 2830/4885ALOX15 4151/4885LMNA 4403/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 BAZ2A 2830/4885ALOX15 4151/4885LMNA 4403/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 BAZ2A 2845/4885ALOX15 4148/4885LMNA 4426/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 BAZ2A 2830/4885ALOX15 4151/4885LMNA 4403/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 BAZ2A 2830/4885ALOX15 4151/4885LMNA 4403/4885

“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.