SCHEMBL1638732

SCHEMBL1638732

CC(=O)OCCn1nc(C)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ELANE P08246 3/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
ADORA2B P29275 1/20 0.36
FEN1 P39748 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
SCHEMBL27714800 0.86 ALDH1A1 (0.43) L3MBTL1ALDH1A1ELANETSHRMEN1
SCHEMBL1638661 0.77 L3MBTL1 (0.53) L3MBTL1ALDH1A1ELANETSHRHTT
SCHEMBL10531540 0.77 NAMPT (0.37) ALDH1A1ELANEMEN1KMT2AADORA2B
SCHEMBL20552850 0.77 L3MBTL1 (0.63) L3MBTL1PDE10AALDH1A1TSHRHTT
SCHEMBL27714795 0.76 CYP3A4 (0.39) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10339810 0.76 RET (0.38) ALDH1A1MEN1KMT2A
SCHEMBL9876682 0.74 GSK3B (0.43) ALDH1A1
SCHEMBL13562830 0.74 L3MBTL1 (0.67) L3MBTL1PDE10ATSHRHTTSMN1; SMN2
SCHEMBL25757542 0.72 L3MBTL1 (0.60) L3MBTL1PDE10AALDH1A1TSHRHTT
SCHEMBL14578720 0.70 MTNR1A (0.64) ALDH1A1CNR1CNR2ADORA2B

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-2155203-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-10-17 EP disclosed
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-09-06 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
EP-1906965-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2015-05-06 EP disclosed
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2013-12-19 US disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 US disclosed
US-7777035-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-08-17 US disclosed
US-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2009-10-08 US disclosed
US-7524845-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2009-04-28 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 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 (7 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-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 L3MBTL1 2451/4885PDE10A 1596/4885ALDH1A1 864/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 L3MBTL1 2451/4885PDE10A 1596/4885ALDH1A1 864/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 L3MBTL1 2451/4885PDE10A 1596/4885ALDH1A1 864/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 L3MBTL1 2451/4885PDE10A 1596/4885ALDH1A1 864/4885
US-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 L3MBTL1 2451/4885PDE10A 1596/4885ALDH1A1 864/4885
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 L3MBTL1 2451/4885PDE10A 1596/4885ALDH1A1 864/4885
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 L3MBTL1 2451/4885PDE10A 1596/4885ALDH1A1 864/4885

“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.