SCHEMBL4618385

SCHEMBL4618385

OC1CCCC[C]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
BRD3 Q15059 1/20 0.35
ACHE P22303 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NR3C1 P04150 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 2/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GRM5 P41594 3/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8160873 0.85 ALDH1A1 (0.36) SLC18A3ALDH1A1MEN1KMT2ALMNA
SCHEMBL6076083 0.80 UGT2B17 (0.41) SLC18A3ALDH1A1CYP1A2GAARAB9A
SCHEMBL27676003 0.78 CHRNB4 (0.45) ALDH1A1CHRNB4CHRNA3RAB9A
SCHEMBL27625957 0.77 HRH3 (0.45)
SCHEMBL5534036 0.77 HRH2 (0.41) MCL1ALDH1A1MEN1KMT2ACHRNB4
SCHEMBL7700085 0.77 CHRNB4 (0.41) MCL1ALDH1A1MEN1KMT2ACHRNB4
SCHEMBL6367893 0.75 CHRNB4 (0.35) SLC18A3MCL1ALDH1A1MEN1KMT2A
SCHEMBL18549967 0.75 ALDH1A1 (0.36) SLC18A3MCL1ALDH1A1MEN1KMT2A
SCHEMBL576359 0.75 CHRNB4 (0.35) SLC18A3MCL1ALDH1A1MEN1KMT2A
SCHEMBL170541 0.73 IGF1R (0.41) SLC18A3ALDH1A1CHRNB4CHRNA3GAA

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-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 SLC18A3 4611/4885MCL1 954/4885ALDH1A1 1756/4885

“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.