SCHEMBL1633516

SCHEMBL1633516

O=S(=O)(c1ccc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)cc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.49
MERTK Q12866 4/20 0.46
AXL P30530 3/20 0.46
TYRO3 Q06418 3/20 0.46
IKBKB O14920 7/20 0.45
CHUK O15111 6/20 0.45
MAPK10 P53779 2/20 0.42
CDK2 P24941 2/20 0.42
CCNE1 P24864 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK9 P50750 1/20 0.42
CCNA1 P78396 1/20 0.42
SYK P43405 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JUN P05412 1/20 0.41

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
SCHEMBL1634287 0.90 IGF1R (0.47) IGF1RMERTKAXLTYRO3IKBKB
SCHEMBL1632322 0.88 HRH3 (0.47) IGF1RMERTKAXLTYRO3IKBKB
SCHEMBL1632419 0.86 IGF1R (0.44) IGF1RMERTKAXLTYRO3IKBKB
SCHEMBL1633417 0.86 MAPK10 (0.57) IGF1RMAPK10CDK2CCNE1CCNA2
SCHEMBL1634295 0.86 IGF1R (0.44) IGF1RMERTKAXLTYRO3IKBKB
SCHEMBL1633172 0.84 KDM4E (0.59) IGF1RMERTKAXLTYRO3IKBKB
SCHEMBL1632828 0.84 IKBKB (0.48) IGF1RIKBKBCHUKCDK2CCNE1
SCHEMBL1634653 0.84 MERTK (0.48) IGF1RMERTKAXLTYRO3SYK
SCHEMBL1636472 0.83 LRRK2 (0.49) MAPK10CDK2CCNE1CCNT1CCNA2
SCHEMBL1634798 0.82 SYK (0.53) IGF1RAXLMAPK10CDK2CCNE1

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 8 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
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 IGF1R 629/4885MERTK 3809/4885AXL 4429/4885

“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.