SCHEMBL1634286

SCHEMBL1634286

CC(C)NC(=O)c1ccc(Nc2ncc3cccc(OC(C)C)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.53
PTK2 Q05397 3/20 0.45
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
STK17A Q9UEE5 2/20 0.43
NEK3 P51956 1/20 0.42
LIMK1 P53667 1/20 0.42
NEK5 Q6P3R8 1/20 0.42
MYLK4 Q86YV6 1/20 0.42
MAPK10 P53779 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
RIPK1 Q13546 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
SCHEMBL1633381 0.91 PTK2 (0.54) PTK2JAK2JAK1TYK2JAK3
SCHEMBL1634323 0.88 JAK2 (0.47) AURKAPTK2JAK2JAK1TYK2
SCHEMBL1633421 0.84 MAP3K5 (0.49) JAK2JAK1TYK2JAK3MAPK10
SCHEMBL1632892 0.81 JAK2 (0.62) AURKAPTK2JAK2JAK1TYK2
SCHEMBL1633395 0.81 CDK2 (0.49) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL1632408 0.80 JAK2 (0.56) AURKAJAK2JAK1TYK2JAK3
SCHEMBL1632354 0.80 PKM (0.43) JAK2JAK1TYK2JAK3MAPK10
SCHEMBL1632814 0.80 CDK2 (0.52) JAK2JAK1TYK2JAK3CDK4
SCHEMBL1634995 0.79 CDK2 (0.52) PTK2JAK2JAK1TYK2JAK3
SCHEMBL1631342 0.79 CDK2 (0.45) PTK2JAK2JAK1TYK2JAK3

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 3 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-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 AURKA 576/4885PTK2 560/4885JAK2 1352/4885

“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.