SCHEMBL1634712

SCHEMBL1634712

CC(=O)N1CCC(Oc2cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.72
JAK1 P23458 4/20 0.72
TYK2 P29597 4/20 0.72
JAK3 P52333 4/20 0.72
IKBKB O14920 2/20 0.53
TNIK Q9UKE5 1/20 0.50
CDK2 P24941 3/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCNE1 P24864 2/20 0.47
SYK P43405 3/20 0.44
CDK1 P06493 1/20 0.44
CDK9 P50750 1/20 0.44
EGFR P00533 1/20 0.44
STK4 Q13043 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NAMPT P43490 1/20 0.42
BRD4 O60885 3/20 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
SCHEMBL1633530 0.89 JAK2 (0.58) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1634722 0.87 JAK2 (0.54) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1631022 0.86 JAK2 (0.54) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1632811 0.86 JAK2 (0.54) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1632506 0.86 JAK2 (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633462 0.86 JAK2 (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632504 0.86 JAK2 (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634743 0.86 TNIK (0.55) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1632315 0.85 JAK2 (0.52) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1633545 0.83 JAK2 (0.65) JAK2JAK1TYK2JAK3IKBKB

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.