SCHEMBL12295393

SCHEMBL12295393

CC(C)c1c(Cl)cc(CN2CCOCC2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
HRH3 Q9Y5N1 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CYP2A13 Q16696 4/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
NCF1 P14598 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL19222036 0.86 POLB (0.56) MAPTHRH3SMN1; SMN2NCF1ALDH1A1
SCHEMBL13032564 0.82 HRH3 (0.56) MAPTHRH3SMN1; SMN2CYP2A13MEN1
SCHEMBL13748995 0.81 L3MBTL1 (0.62) SMN1; SMN2CYP2A13MEN1KMT2AALDH1A1
SCHEMBL4547887 0.81 HRH3 (0.65) MAPTHRH3SMN1; SMN2NOS3NOS1
SCHEMBL12295183 0.80 MAPT (0.62) MAPTHRH3SMN1; SMN2CYP2A13MEN1
SCHEMBL19441606 0.79 HRH3 (0.62) MAPTHRH3SMN1; SMN2NOS3NOS1
SCHEMBL19441582 0.79 HRH3 (0.62) MAPTHRH3SMN1; SMN2NOS3NOS1
SCHEMBL9416936 0.77 MAPT (1.00) MAPTHRH3SMN1; SMN2MEN1TSHR
SCHEMBL10848052 0.77 MAPT (0.72) MAPTHRH3SMN1; SMN2MEN1KMT2A
SCHEMBL26378181 0.77 HRH3 (0.74) MAPTHRH3SMN1; SMN2MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (6 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 MAPT 1488/4885HRH3 307/4885SMN1; SMN2 2126/4885
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAPT 4247/4885HRH3 1005/4885SMN1; SMN2 3556/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPT 2745/4885HRH3 1062/4885SMN1; SMN2 4298/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAPT 4247/4885HRH3 1005/4885SMN1; SMN2 3556/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 MAPT 4247/4885HRH3 1005/4885SMN1; SMN2 3556/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAPT 4247/4885HRH3 1005/4885SMN1; SMN2 3556/4885

“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.