SCHEMBL3576567

SCHEMBL3576567

Cc1ncc(N)cc1C#CC(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 8/20 0.35
PGK1 P00558 1/20 0.34
PAK4 O96013 3/20 0.34
PIKFYVE Q9Y2I7 3/20 0.34
GCK P35557 2/20 0.34
GCKR Q14397 1/20 0.34
PAK1 Q13153 1/20 0.33
PKN1 Q16512 1/20 0.33
LYN P07948 1/20 0.33
SRC P12931 1/20 0.33
BTK Q06187 1/20 0.33
MAP3K14 Q99558 1/20 0.33
CHUK O15111 2/20 0.32
PTPN11 Q06124 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL29236495 0.74 NOS3 (0.31)
SCHEMBL3586009 0.72 CASP1 (0.42) TTBK1PGK1PAK4GCKGCKR
SCHEMBL4618985 0.71 LCK (0.35)
SCHEMBL21604785 0.71 KDM4E (0.40) KMT2A
SCHEMBL3576456 0.71 PTPN1 (0.33) PTPN11
SCHEMBL30966825 0.70 PTPN11 (0.43) PGK1PTPN11
SCHEMBL29236509 0.70 PTPN11 (0.43) PGK1PTPN11
SCHEMBL14107967 0.69 MAP4K4 (0.31) KMT2A
SCHEMBL3570374 0.69 CHRNB2 (0.42) TTBK1PAK4PIKFYVEPAK1PKN1
SCHEMBL18034675 0.69 TTBK1 (0.43) TTBK1PAK4PIKFYVEMAP3K14CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 WO disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 TTBK1 2104/4885PGK1 3605/4885PAK4 2789/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 TTBK1 405/4885PGK1 2356/4885PAK4 2108/4885

“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.