SCHEMBL4617237

SCHEMBL4617237

Nc1ncc(C#Cc2cccc(CC(=O)NCc3ccccc3N3CCOCC3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
RAB9A P51151 1/20 0.42
SRC P12931 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.40
WDR5 P61964 1/20 0.40
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LCK P06239 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
SCHEMBL14107775 0.86 SRC (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19SCN2A
SCHEMBL4638791 0.86 SCN2A (0.53) ALDH1A1SCN2ASCN10AKMT2AMAPT
SCHEMBL3578235 0.84 SCN2A (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19SCN2A
SCHEMBL3575251 0.78 SCN2A (0.49) CYP1A2CYP3A4CYP2C19SCN2ASCN10A
SCHEMBL3586017 0.77 SCN2A (0.41) ALDH1A1CYP1A2CYP3A4CYP2C19SCN2A
SCHEMBL3576886 0.77 SCN2A (0.41) ALDH1A1CYP1A2CYP3A4CYP2C19SCN2A
SCHEMBL3580192 0.75 LCK (0.43) ALDH1A1CYP3A4GAARAB9ASRC
SCHEMBL3576468 0.75 TEK (0.49) CYP1A2CYP3A4CYP2C19SCN2ASCN10A
SCHEMBL3582962 0.74 BTK (0.43) ALDH1A1CYP3A4SCN2ASCN10ASRC
SCHEMBL3583017 0.74 LCK (0.44) LCKTEK

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-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
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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 (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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 ALDH1A1 1756/4885CYP1A2 1874/4885CYP3A4 4014/4885

“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.