SCHEMBL3503552

SCHEMBL3503552

C#Cc1ccc2nc(Nc3cc(-c4cccnc4)cc(N4CCOCC4)c3)ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.51
SYK P43405 6/20 0.49
MAPK8 P45983 1/20 0.43
MYLK4 Q86YV6 2/20 0.43
STK17A Q9UEE5 2/20 0.43
JAK2 O60674 2/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
AURKA O14965 2/20 0.41
ACVR1 Q04771 2/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
CAMK2D Q13557 1/20 0.40

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
SCHEMBL1863747 0.91 SYK (0.49) MAPK10SYKMYLK4STK17AJAK2
SCHEMBL3503825 0.85 RIPK2 (0.44) MAPK10SYKMYLK4STK17AJAK2
SCHEMBL1865253 0.85 MAPK10 (0.52) MAPK10SYKMAPK8MYLK4STK17A
SCHEMBL1870735 0.83 CCNT1 (0.55) MAPK10JAK2JAK3KDRCAMK2D
SCHEMBL3503540 0.83 MAPK10 (0.54) MAPK10SYKMYLK4STK17AJAK2
SCHEMBL12671407 0.80 KDR (0.44) SYKKDR
SCHEMBL13336001 0.77 SYK (0.47) SYKSTK17AJAK2JAK3AURKA
SCHEMBL1573847 0.76 BRAF (0.52) SYK
SCHEMBL4564312 0.74 BRAF (0.45) SYKJAK2AURKA
SCHEMBL3503353 0.73 JAK2 (0.63) MAPK10SYKMAPK8MYLK4STK17A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US claimed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 CN claimed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 WO 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAPK10 338/4885SYK 4095/4885MAPK8 275/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAPK10 202/4885SYK 4070/4885MAPK8 284/4885

“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.