SCHEMBL1634192

SCHEMBL1634192

NC(=O)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.64
JAK3 P52333 5/20 0.64
JAK1 P23458 4/20 0.64
TYK2 P29597 4/20 0.64
TNIK Q9UKE5 1/20 0.54
PTK2 Q05397 2/20 0.46
AURKA O14965 3/20 0.45
AURKB Q96GD4 2/20 0.45
ALK Q9UM73 1/20 0.45
SYK P43405 1/20 0.45
TBK1 Q9UHD2 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
LCK P06239 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
FLT3 P36888 2/20 0.41
IGF1R P08069 1/20 0.41
IKBKB O14920 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
SCHEMBL1633224 0.91 JAK2 (0.65) JAK2JAK3JAK1TYK2TNIK
SCHEMBL1633326 0.91 JAK3 (0.55) JAK2JAK3JAK1TYK2TNIK
SCHEMBL1633209 0.88 JAK2 (0.61) JAK2JAK3JAK1TYK2TNIK
SCHEMBL13498230 0.87 JAK2 (0.58) JAK2JAK3JAK1TYK2TNIK
SCHEMBL1632892 0.87 JAK2 (0.62) JAK2JAK3JAK1TYK2TNIK
SCHEMBL12724448 0.86 JAK2 (0.71) JAK2JAK3JAK1TYK2TNIK
SCHEMBL1635098 0.85 JAK2 (0.74) JAK2JAK3JAK1TYK2TNIK
SCHEMBL1633545 0.85 JAK2 (0.65) JAK2JAK3JAK1TYK2TNIK
SCHEMBL13498228 0.85 JAK2 (0.56) JAK2JAK3JAK1TYK2TNIK
SCHEMBL12724702 0.84 JAK2 (0.61) JAK2JAK3JAK1TYK2TNIK

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 1352/4885JAK3 2027/4885JAK1 2248/4885

“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.