SCHEMBL1634759

SCHEMBL1634759

COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 4/20 0.56
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
KMT2A Q03164 4/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 1/20 0.52
CYP3A4 P08684 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAF1 P04049 1/20 0.48

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
SCHEMBL31440788 0.88 KMT2A (0.61) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL20357363 0.86 MAPT (0.58) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL13170085 0.86 CYP1A2 (0.72) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL164777 0.85 MAPT (0.57) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL8370046 0.85 MAPT (0.57) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL5789931 0.84 MAPT (0.74) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL1899227 0.82 CYP2C19 (0.46) MAPTKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL19669082 0.81 MEN1 (0.57) KMT2AHTTALDH1A1PDK1PDK2
SCHEMBL30006263 0.81 MEN1 (0.57) KMT2AHTTALDH1A1PDK1PDK2
SCHEMBL7934014 0.81 CYP1A2 (0.54) MAPTKDM4ECYP1A2CYP2C19CYP2C9

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 MAPT 2848/4885KDM4E 1007/4885CYP1A2 4359/4885

“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.