SCHEMBL1633172

SCHEMBL1633172

COc1ccc2cnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
HSD17B10 Q99714 3/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
ALDH1A1 P00352 9/20 0.55
FGFR4 P22455 2/20 0.53
USP2 O75604 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
AXL P30530 1/20 0.49
TYRO3 Q06418 1/20 0.49
MERTK Q12866 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CDK2 P24941 2/20 0.49
CCNE1 P24864 1/20 0.49
HPGD P15428 1/20 0.48
CCNT1 O60563 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
SCHEMBL1632893 0.87 MERTK (0.49) KDM4EHSD17B10TSHRCASP1ALDH1A1
SCHEMBL1634287 0.86 IGF1R (0.47) KDM4EHSD17B10TSHRCASP1ALDH1A1
SCHEMBL1632410 0.85 MERTK (0.52) KDM4EALDH1A1IKBKBCHUKAXL
SCHEMBL1633516 0.84 IGF1R (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL1870819 0.84 KDM4E (0.55) KDM4EALDH1A1FGFR4LMNAIKBKB
SCHEMBL14146381 0.84 CYP2C9 (0.49) KDM4EALDH1A1FGFR4LMNAIKBKB
SCHEMBL1632322 0.84 HRH3 (0.47) KDM4EHSD17B10TSHRCASP1ALDH1A1
SCHEMBL3504018 0.82 CDK2 (0.48) KDM4EALDH1A1FGFR4LMNAIKBKB
SCHEMBL1633526 0.81 MAPK10 (0.63) IKBKBCHUKAXLTYRO3MERTK
SCHEMBL1632404 0.81 MAPK10 (0.63) IKBKBCHUKAXLTYRO3MERTK

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 5 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-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-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 KDM4E 1007/4885HSD17B10 1525/4885TSHR 3241/4885

“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.