SCHEMBL1633186

SCHEMBL1633186

COc1ccc(C(F)(F)F)c2cnc(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
PDE11A Q9HCR9 1/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GAA P10253 1/20 0.37
PDE10A Q9Y233 3/20 0.37
CASR P41180 1/20 0.35
MAP4K1 Q92918 1/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL1634302 0.82 TDO2 (0.42) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL25328601 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2IDO1TDO2
SCHEMBL1634376 0.80 ALDH1A1 (0.45) PDE4BALDH1A1KDM4ESMN1; SMN2PDE4A
SCHEMBL1633538 0.77 NFKB1 (0.40) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL30527150 0.77 NQO2 (0.45) PDE4BALDH1A1KDM4ESMN1; SMN2PDE4A
SCHEMBL25903679 0.77 NQO2 (0.45) PDE4BALDH1A1KDM4ESMN1; SMN2PDE4A
SCHEMBL2785564 0.71 SLC40A1 (0.46) PDE4BALDH1A1KDM4EPDE4APDE4C
SCHEMBL2015792 0.69 AURKA (0.48) ALDH1A1KDM4ESMN1; SMN2NFKB1GAA
SCHEMBL2860108 0.69 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2GAANQO2
SCHEMBL30122456 0.69 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2GAANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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 (1 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 PDE4B 667/4885ALDH1A1 2679/4885KDM4E 1007/4885

“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.