SCHEMBL4638889

SCHEMBL4638889

Cn1nc(C(C)(C)C)cc1C(=O)NCc1cccc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CTSL P07711 9/20 0.45
CTSS P25774 6/20 0.44
CTSV O60911 5/20 0.44
CTSK P43235 5/20 0.44
CTSB P07858 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
NR2F2 P24468 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LCK P06239 1/20 0.39
TEK Q02763 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
SCHEMBL14108030 0.85 GALR3 (0.55) GALR3RAB9ALMNATSHRHTT
SCHEMBL4638874 0.83 LCK (0.52) LMNALCKTEK
SCHEMBL4641036 0.77 LCK (0.56) LMNALCKTEK
SCHEMBL4618931 0.76 LCK (0.49) RAB9AHTTL3MBTL1LCKTEK
SCHEMBL4875543 0.75 LCK (0.67) RAB9ALMNALCKTEK
SCHEMBL4638244 0.75 AAK1 (0.46) LMNAHTTCTSLLCKTEK
SCHEMBL4715085 0.74 MAPK14 (0.60) LMNA
SCHEMBL18124591 0.71 GALR3 (0.61) GALR3RAB9ALMNATSHRHTT
SCHEMBL18112681 0.70 GALR3 (0.64) GALR3RAB9ALMNATSHRHTT
SCHEMBL18112684 0.70 GALR3 (0.60) GALR3RAB9ALMNATSHRHTT

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 GALR3 3460/4885RAB9A 3198/4885LMNA 3150/4885

“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.