SCHEMBL1694755

SCHEMBL1694755

Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)O)c12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
PPARA Q07869 2/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 9/20 0.46
TP53 P04637 3/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL26715018 0.87 KCNH2 (0.54) KCNH2PPARAKDM4EKMT2AMAPT
SCHEMBL10255951 0.86 KCNH2 (0.53) KCNH2KDM4EKMT2AMAPTTP53
SCHEMBL26715019 0.84 KCNH2 (0.51) KCNH2KDM4EKMT2AMAPTTP53
SCHEMBL26259078 0.83 PPARA (0.49) PPARAKDM4EKMT2AMAPTTP53
SCHEMBL26695330 0.81 TDP1 (0.45) PPARAKDM4EKMT2AMAPTTP53
SCHEMBL26695337 0.81 KCNH2 (0.49) KCNH2KDM4EKMT2AMAPTTP53
SCHEMBL14785698 0.81 PPARA (0.47) PPARAKDM4EKMT2AMAPTTP53
SCHEMBL10254752 0.80 TSHR (0.41) KCNH2KDM4EKMT2AMAPTTP53
SCHEMBL10262988 0.80 KDM4E (0.61) PPARAKDM4EKMT2AMAPTTP53
SCHEMBL26695401 0.80 KCNH2 (0.48) KCNH2KMT2AMAPTTP53GAA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834451-B2 Compositions and methods for inhibiting virus protein 2C activity and for preventing and treating non-polio enterovirus infection ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-12-05 US disclosed
US-20220306627-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRUS PROTEIN 2C ACTIVITY AND FOR PREVENTING AND TREATING NON-POLIO ENTEROVIRUS INFECTION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-09-29 US disclosed
EP-2755962-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2017-03-01 EP disclosed
EP-2755962-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2017-03-01 EP disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
WO-2013067302-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067302-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 WO disclosed
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 WO disclosed
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 WO disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 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 (4 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-20140343056-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 KCNH2 3807/4885PPARA 3560/4885KDM4E 682/4885
US-20220306627-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRUS PROTEIN 2C ACTIVITY AND FOR PREVENTING AND TREATING NON-POLIO ENTEROVIRUS INFECTION GTF3C3, VDAC3, GTF3C5 KCNH2 846/4885PPARA 4349/4885KDM4E 3370/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 KCNH2 3807/4885PPARA 3560/4885KDM4E 682/4885
US-11834451-B2 Compositions and methods for inhibiting virus protein 2C activity and for preventing and treating non-polio enterovirus infection GTF3C3, VDAC3, GTF3C5 KCNH2 846/4885PPARA 4349/4885KDM4E 3370/4885

“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.