SCHEMBL1633209

SCHEMBL1633209

O=C(NC1CC1)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.61
JAK1 P23458 2/20 0.61
TYK2 P29597 2/20 0.61
JAK3 P52333 2/20 0.61
PTK2 Q05397 9/20 0.57
TNIK Q9UKE5 1/20 0.51
BRD4 O60885 3/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
SYK P43405 2/20 0.48
STK17A Q9UEE5 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL12724982 0.92 PTK2 (0.52) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1633224 0.89 JAK2 (0.65) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1632892 0.88 JAK2 (0.62) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1634192 0.88 JAK2 (0.64) JAK2JAK1TYK2JAK3PTK2
SCHEMBL12724702 0.87 JAK2 (0.61) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1634268 0.86 JAK2 (0.56) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1632384 0.86 PTK2 (0.61) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1633108 0.85 PTK2 (0.51) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1633332 0.85 PTK2 (0.53) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1632937 0.85 PTK2 (0.51) JAK2JAK1TYK2JAK3PTK2

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 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.