SCHEMBL1637594

SCHEMBL1637594

Ic1[nH]nc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.50
MTOR P42345 2/20 0.50
GSK3B P49841 3/20 0.45
GSK3A P49840 1/20 0.45
APP P05067 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
PRKCQ Q04759 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKCA P17252 1/20 0.40
GRM4 Q14833 5/20 0.38
CYP1A2 P05177 2/20 0.38
ACHE P22303 2/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL1343939 0.80 PIK3CA (0.49) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL1343941 0.78 PIK3CA (0.47) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL1164088 0.78 GSK3B (0.50) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL18878975 0.74 GSK3A (0.57) GSK3BGSK3AAPPGRM4CYP1A2
SCHEMBL21672132 0.74 PIK3CA (0.44) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL17363782 0.74 PIK3CA (0.44) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL15723267 0.74 PIK3CA (0.44) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL1639312 0.74 PIK3CA (0.44) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL1639227 0.74 PIK3CA (0.59) PIK3CAMTORGSK3BGSK3AAPP
SCHEMBL1048846 0.72 GSK3B (0.49) PIK3CAMTORGSK3BGSK3AAPP

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 50 patents — showing the first 20. 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-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
EP-2155712-B1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC (US) 2016-09-07 EP disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 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
WO-2008147815-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 US disclosed
EP-1906965-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-04-09 EP disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 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
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
WO-2007002293-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 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-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PIK3CA 4034/4885MTOR 4368/4885GSK3B 3876/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PIK3CA 4034/4885MTOR 4368/4885GSK3B 3876/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PIK3CA 4034/4885MTOR 4368/4885GSK3B 3876/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 PIK3CA 4034/4885MTOR 4368/4885GSK3B 3876/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 PIK3CA 2568/4885MTOR 4286/4885GSK3B 3340/4885

“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.