SCHEMBL1633936

SCHEMBL1633936

C#Cc1cc2cnc(Nc3ccc(C(=O)NC(C)C)cc3)nc2cc1OC1CCN(C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.47
JAK2 O60674 2/20 0.47
SLC5A7 Q9GZV3 4/20 0.45
STK17A Q9UEE5 3/20 0.45
MYLK4 Q86YV6 2/20 0.44
NEK3 P51956 1/20 0.44
LIMK1 P53667 1/20 0.44
NEK5 Q6P3R8 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
AURKA O14965 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
CYP1A2 P05177 1/20 0.40
BRAF P15056 3/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12725011 0.92 TBK1 (0.56) TBK1JAK2SLC5A7STK17AMYLK4
SCHEMBL13498345 0.88 SLC5A7 (0.47) TBK1JAK2SLC5A7STK17AMYLK4
SCHEMBL1634925 0.87 SLC5A7 (0.46) TBK1JAK2SLC5A7STK17AMYLK4
SCHEMBL1633244 0.85 PDE5A (0.43)
SCHEMBL1633767 0.83 HRH3 (0.53) SLC5A7STK17AMYLK4NEK3LIMK1
SCHEMBL1864706 0.83 BRAF (0.49) TBK1JAK2STK17AMYLK4NEK3
SCHEMBL1634946 0.82 STK17A (0.45) TBK1JAK2SLC5A7STK17AMYLK4
SCHEMBL1632408 0.80 JAK2 (0.56) TBK1JAK2SLC5A7STK17AMYLK4
SCHEMBL12725013 0.75 LRRK2 (0.46) TBK1JAK2
SCHEMBL13498298 0.75 HRH3 (0.49) JAK2SLC5A7HRH3

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 TBK1 539/4885JAK2 1352/4885SLC5A7 2995/4885

“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.