SCHEMBL1695004

SCHEMBL1695004

CC(C)Cn1ncc2c(C(=O)O)cc(C3CC3)nc21

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
KMT2A Q03164 1/20 0.69
MAT2A P31153 9/20 0.52
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
PSMD14 O00487 1/20 0.43
RAB9A P51151 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
SCHEMBL1694681 0.86 KDM4E (0.66) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL1695118 0.84 KDM4E (0.63) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL309746 0.81 KDM4E (1.00) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL29944921 0.81 KDM4E (1.00) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL26695338 0.80 KDM4E (0.78) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL23579791 0.80 KDM4E (0.70) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL30033251 0.80 KDM4E (0.70) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL26695307 0.79 KDM4E (0.80) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL29944923 0.79 KDM4E (0.80) KDM4EKMT2AMAT2AALDH1A1MAPT
SCHEMBL1695007 0.77 KDM4E (0.67) KDM4EKMT2AMAT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US 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
EP-2755962-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2014-07-23 EP disclosed
US-8637509-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2014-01-28 US 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
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US 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 (2 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 KDM4E 682/4885KMT2A 448/4885MAT2A 863/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 KDM4E 682/4885KMT2A 448/4885MAT2A 863/4885

“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.