SCHEMBL1633442

SCHEMBL1633442

O=C(NC1CCNCC1)c1ccc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.53
IGF1R P08069 1/20 0.47
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
JAK2 O60674 3/20 0.45
BRD4 O60885 2/20 0.45
UTS2R Q9UKP6 2/20 0.44
SYK P43405 2/20 0.44
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
STK17A Q9UEE5 1/20 0.42
AR P10275 2/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL1633108 0.98 PTK2 (0.51) PTK2IGF1RAURKAAURKBJAK2
SCHEMBL1634490 0.90 PTK2 (0.55) PTK2AURKAAURKBJAK2BRD4
SCHEMBL1633745 0.89 TBK1 (0.53) PTK2IGF1RAURKAAURKBJAK2
SCHEMBL1633332 0.88 PTK2 (0.53) PTK2AURKAAURKBJAK2BRD4
SCHEMBL1632937 0.88 PTK2 (0.51) PTK2AURKAAURKBJAK2BRD4
SCHEMBL1633607 0.83 JAK2 (0.51) PTK2AURKAJAK2SYKJAK1
SCHEMBL1633209 0.83 JAK2 (0.61) PTK2AURKAAURKBJAK2BRD4
SCHEMBL1632091 0.83 IKBKB (0.47) IGF1RJAK2SYKJAK1TYK2
SCHEMBL1633501 0.82 LRRK2 (0.51) JAK2JAK1TYK2JAK3
SCHEMBL1632897 0.81 AURKA (0.56) PTK2IGF1RAURKAAURKBBRD4

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 4 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

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 PTK2 560/4885IGF1R 629/4885AURKA 576/4885

“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.