SCHEMBL1634969

SCHEMBL1634969

O=C(O)c1ccc(Nc2ncc3c(Cl)ccc(OC4CCNCC4)c3n2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
FLT3 P36888 1/20 0.42
TNIK Q9UKE5 1/20 0.40
HDAC3 O15379 1/20 0.39
CDK9 P50750 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTK2 Q05397 6/20 0.39
P2RX3 P56373 1/20 0.39
SYK P43405 2/20 0.38
BRD4 O60885 1/20 0.38
CSNK2A1 P68400 2/20 0.37
EGFR P00533 2/20 0.37
ITK Q08881 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL1633373 0.88 JAK2 (0.59) JAK2JAK1TYK2JAK3FLT3
SCHEMBL1634544 0.86 LRRK2 (0.46) JAK2JAK1TYK2JAK3FLT3
SCHEMBL1634720 0.83 PTK2 (0.47) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1634153 0.83 JAK2 (0.47) JAK2JAK1TYK2JAK3FLT3
SCHEMBL13498302 0.83 PTK2 (0.50) JAK2JAK1TYK2JAK3PTK2
SCHEMBL12724549 0.83 JAK2 (0.50) JAK2JAK1TYK2JAK3FLT3
SCHEMBL3465389 0.83 JAK2 (0.46) JAK2JAK1TYK2JAK3FLT3
SCHEMBL1632937 0.81 PTK2 (0.51) JAK2JAK1TYK2JAK3FLT3
SCHEMBL1632647 0.81 LRRK2 (0.44) JAK2JAK1JAK3FLT3PTK2
SCHEMBL1634717 0.81 JAK2 (0.50) JAK2JAK1TYK2JAK3FLT3

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 JAK2 1352/4885JAK1 2248/4885TYK2 1796/4885

“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.