SCHEMBL1634256

SCHEMBL1634256

CC(C)NC(=O)Cc1ccc(Nc2ncc3cccc(OC4CCN(C(C)C)CC4)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.54
JAK1 P23458 5/20 0.54
TYK2 P29597 5/20 0.54
JAK3 P52333 5/20 0.54
TNIK Q9UKE5 1/20 0.46
IGF1R P08069 1/20 0.45
HRH3 Q9Y5N1 5/20 0.41
SLC5A7 Q9GZV3 2/20 0.40
MCHR1 Q99705 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL1633921 0.93 JAK2 (0.54) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1631185 0.92 JAK2 (0.53) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632367 0.91 JAK2 (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632408 0.89 JAK2 (0.56) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632641 0.85 JAK2 (0.60) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633440 0.85 JAK2 (0.53) JAK2JAK1TYK2JAK3TNIK
SCHEMBL12724803 0.85 JAK1 (0.57) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633923 0.84 JAK2 (0.54) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633548 0.84 JAK2 (0.51) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1631106 0.84 JAK2 (0.57) JAK2JAK1TYK2JAK3TNIK

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.